ADF 2019 2019-11-09 x86_64_linux_intel / intelmpi Feb19-2021 18:54:57 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.32 0.02 0.39 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Feb19-2021 18:54:57 Nodes: 1 Procs: 1 Feb19-2021 18:54:57 Nodes: 1 Procs: 1 0 ADF 2019 2019-11-09 x86_64_linux_intel / intelmpi Feb19-2021 18:54:58 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.75 0.02 0.80 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 -58.387 -4.007 0.717 9.945 67.810 -34.613 -0.700 15.214 100.731 -3.028 2.850 24.886 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -58.3867 -34.6130 -4.0068 -3.0277 -0.6997 0.7169 2.8504 9.9454 15.2144 24.8857 67.8102 100.7305 1 Nb 0.0000 3.0000 6.0000 4.0000 0.0000 Feb19-2021 18:54:57 Nodes: 1 Procs: 1 Feb19-2021 18:54:57 Nodes: 1 Procs: 1 0 Feb19-2021 18:54:58 Nodes: 1 Procs: 1 Feb19-2021 18:54:58 Nodes: 1 Procs: 1 Niobium (TZP, 3d frozen) 0 ADF 2019 2019-11-09 x86_64_linux_intel / intelmpi Feb19-2021 18:54:59 Hydrogen (TZP) kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.42 0.03 0.48 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Feb19-2021 18:54:57 Nodes: 1 Procs: 1 Feb19-2021 18:54:57 Nodes: 1 Procs: 1 0 Feb19-2021 18:54:58 Nodes: 1 Procs: 1 Feb19-2021 18:54:58 Nodes: 1 Procs: 1 Niobium (TZP, 3d frozen) 0 Feb19-2021 18:54:59 Nodes: 1 Procs: 1 Feb19-2021 18:54:59 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-11-09 x86_64_linux_intel / intelmpi Feb19-2021 18:55:01 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP 2270.47268 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.O ADF 2019 Feb19-2021 18:54:59 1 1 Oxygen TZP 1s t21.Nb ADF 2019 Feb19-2021 18:54:58 1 1 Niobium TZP 3d t21.H ADF 2019 Feb19-2021 18:54:57 1 1 Hydrogen TZP 1 1 -23.07591509 0.20794884 0.00100000 F 0.02304579 0.00066667 F 0.20794884 0.02304579 0.07619659 0.01000000 F 0.02198277 0.00666667 F Cartesian 2270.47268 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0.4740262E+00 3,-3 70 3 -3 5.914286 0.917667 -2.397945 Rho 0.4776457E+00 3,-3 71 3 -3 -1.268856 -0.912563 1.002808 Rho 0.4727592E+00 3,-3 72 3 -3 -3.866164 -3.430218 1.569432 Rho 0.4518348E+00 3,-3 73 3 -1 -8.798407 -1.033886 -0.138771 Rho 0.1057331E+00 |GRAD(Rho)| 0.7690628E-14 GRAD(Rho)x -0.7498593E-14 GRAD(Rho)y -0.1095004E-14 GRAD(Rho)z 0.1310657E-14 Laplacian 0.4193669E+00 (-1/4)Del**2(Rho)) -0.1048417E+00 Diamond 0.5612976E+00 Metallicity 0.3884817E+01 Ellipticity 0.3847215E-01 Gb(Abramov) 0.1377763E+00 Vb(Abramov) -0.1707109E+00 Hb(Abramov) -0.3293458E-01 Ex_ueg -0.3692606E-01 Ec_ueg -0.5673632E-02 Delta_ex -0.4145930E-01 Delta_ec 0.1164794E-01 Delta_et -0.1464044E+00 Pxc 0.6508364E+01 Qxc -0.3559369E+01 3,-1 74 3 -1 -8.830668 -2.010646 0.891184 Rho 0.1031322E+00 |GRAD(Rho)| 0.2886980E-15 GRAD(Rho)x -0.2546655E-15 GRAD(Rho)y 0.6577719E-16 GRAD(Rho)z 0.1190183E-15 Laplacian 0.4113115E+00 (-1/4)Del**2(Rho)) -0.1028279E+00 Diamond 0.5353995E+00 Metallicity 0.3799845E+01 Ellipticity 0.3874807E-01 Gb(Abramov) 0.1336736E+00 Vb(Abramov) -0.1645193E+00 Hb(Abramov) -0.3084571E-01 Ex_ueg -0.3571993E-01 Ec_ueg -0.5515175E-02 Delta_ex -0.4044605E-01 Delta_ec 0.1152190E-01 Delta_et -0.1441641E+00 Pxc 0.6476663E+01 Qxc -0.3510364E+01 3,-1 75 3 +1 -7.770875 -2.243399 0.420630 Rho 0.1778676E-01 |GRAD(Rho)| 0.2625420E-12 GRAD(Rho)x -0.2266543E-12 GRAD(Rho)y 0.4898860E-13 GRAD(Rho)z 0.1231106E-12 Laplacian 0.5719687E-01 (-1/4)Del**2(Rho)) -0.1429922E-01 Diamond 0.3476087E-02 Metallicity 0.1460166E+01 Ellipticity -0.1974558E+01 Gb(Abramov) 0.1301268E-01 Vb(Abramov) -0.1172615E-01 Hb(Abramov) 0.1286535E-02 Ex_ueg -0.3429104E-02 Ec_ueg -0.7328897E-03 Delta_ex -0.3044821E-02 Delta_ec 0.6013989E-03 Delta_et -0.5034572E-02 Pxc 0.4678882E+01 Qxc -0.5062898E+01 3,+1 76 3 +1 -7.987107 -2.244049 -1.105695 Rho 0.1703253E-01 |GRAD(Rho)| 0.3640002E-12 GRAD(Rho)x -0.3516321E-12 GRAD(Rho)y -0.3619946E-13 GRAD(Rho)z -0.8683664E-13 Laplacian 0.5280731E-01 (-1/4)Del**2(Rho)) -0.1320183E-01 Diamond 0.3246348E-02 Metallicity 0.1471356E+01 Ellipticity -0.2389488E+01 Gb(Abramov) 0.1203865E-01 Vb(Abramov) -0.1087547E-01 Hb(Abramov) 0.1163177E-02 Ex_ueg -0.3236612E-02 Ec_ueg -0.6966028E-03 Delta_ex -0.2818052E-02 Delta_ec 0.6276816E-03 Delta_et -0.5153410E-02 Pxc 0.4646281E+01 Qxc -0.4489621E+01 3,+1 77 3 -1 -6.335135 -4.822697 -0.631534 Rho 0.9231143E-01 |GRAD(Rho)| 0.3256065E-15 GRAD(Rho)x 0.3109898E-15 GRAD(Rho)y 0.4644282E-17 GRAD(Rho)z -0.9635000E-16 Laplacian 0.3711777E+00 (-1/4)Del**2(Rho)) -0.9279441E-01 Diamond 0.4208575E+00 Metallicity 0.3500449E+01 Ellipticity 0.2797225E-01 Gb(Abramov) 0.1160000E+00 Vb(Abramov) -0.1392055E+00 Hb(Abramov) -0.2320555E-01 Ex_ueg -0.3081241E-01 Ec_ueg -0.4861709E-02 Delta_ex -0.3554088E-01 Delta_ec 0.1059061E-01 Delta_et -0.1294957E+00 Pxc 0.6337774E+01 Qxc -0.3355886E+01 3,-1 78 3 -1 -7.135921 -4.616092 0.565716 Rho 0.1026671E+00 |GRAD(Rho)| 0.3440422E-15 GRAD(Rho)x 0.1463199E-15 GRAD(Rho)y -0.3617169E-16 GRAD(Rho)z 0.3092687E-15 Laplacian 0.4074670E+00 (-1/4)Del**2(Rho)) -0.1018667E+00 Diamond 0.5258768E+00 Metallicity 0.3806914E+01 Ellipticity 0.2251138E-01 Gb(Abramov) 0.1325441E+00 Vb(Abramov) -0.1632216E+00 Hb(Abramov) -0.3067740E-01 Ex_ueg -0.3550533E-01 Ec_ueg -0.5486898E-02 Delta_ex -0.3999880E-01 Delta_ec 0.1137739E-01 Delta_et -0.1421685E+00 Pxc 0.6470930E+01 Qxc -0.3515639E+01 3,-1 79 3 +1 -7.154332 -3.354318 -1.481210 Rho 0.2115435E-01 |GRAD(Rho)| 0.1459622E-16 GRAD(Rho)x 0.1447031E-16 GRAD(Rho)y 0.1906471E-17 GRAD(Rho)z -0.1583542E-18 Laplacian 0.6828024E-01 (-1/4)Del**2(Rho)) -0.1707006E-01 Diamond 0.6333815E-02 Metallicity 0.1632993E+01 Ellipticity -0.4701802E+01 Gb(Abramov) 0.1602592E-01 Vb(Abramov) -0.1498178E-01 Hb(Abramov) 0.1044139E-02 Ex_ueg -0.4321004E-02 Ec_ueg -0.8971123E-03 Delta_ex -0.3958811E-02 Delta_ec 0.9737464E-03 Delta_et -0.8309958E-02 Pxc 0.4816570E+01 Qxc -0.4065546E+01 3,+1 80 3 +1 -6.378140 -3.815355 -0.623658 Rho 0.2561820E-01 |GRAD(Rho)| 0.6155600E-16 GRAD(Rho)x -0.2815103E-16 GRAD(Rho)y 0.5430701E-16 GRAD(Rho)z 0.6885395E-17 Laplacian 0.8897225E-01 (-1/4)Del**2(Rho)) -0.2224306E-01 Diamond 0.7192598E-02 Metallicity 0.1724274E+01 Ellipticity -0.1605776E+01 Gb(Abramov) 0.2122090E-01 Vb(Abramov) -0.2019873E-01 Hb(Abramov) 0.1022166E-02 Ex_ueg -0.5577632E-02 Ec_ueg -0.1119890E-02 Delta_ex -0.5060827E-02 Delta_ec 0.6009911E-03 Delta_et -0.5531684E-02 Pxc 0.4980519E+01 Qxc -0.8420802E+01 3,+1 81 3 +1 -6.867065 -3.534802 0.372308 Rho 0.2221142E-01 |GRAD(Rho)| 0.1825310E-11 GRAD(Rho)x -0.2633479E-12 GRAD(Rho)y -0.8817794E-12 GRAD(Rho)z -0.1576346E-11 Laplacian 0.7302363E-01 (-1/4)Del**2(Rho)) -0.1825591E-01 Diamond 0.6891386E-02 Metallicity 0.1656190E+01 Ellipticity -0.3090524E+01 Gb(Abramov) 0.1720981E-01 Vb(Abramov) -0.1616372E-01 Hb(Abramov) 0.1046094E-02 Ex_ueg -0.4611265E-02 Ec_ueg -0.9493649E-03 Delta_ex -0.4245231E-02 Delta_ec 0.9610528E-03 Delta_et -0.8325630E-02 Pxc 0.4857210E+01 Qxc -0.4417272E+01 3,+1 82 3 -1 -4.632142 -1.928998 -0.933147 Rho 0.8254250E-01 |GRAD(Rho)| 0.5986540E-13 GRAD(Rho)x 0.7600984E-14 GRAD(Rho)y 0.5847878E-13 GRAD(Rho)z 0.1031135E-13 Laplacian 0.3238141E+00 (-1/4)Del**2(Rho)) -0.8095352E-01 Diamond 0.3183745E+00 Metallicity 0.3330020E+01 Ellipticity 0.2649523E-01 Gb(Abramov) 0.9889848E-01 Vb(Abramov) -0.1168434E+00 Hb(Abramov) -0.1794496E-01 Ex_ueg -0.2654332E-01 Ec_ueg -0.4280297E-02 Delta_ex -0.3017285E-01 Delta_ec 0.9368591E-02 Delta_et -0.1117518E+00 Pxc 0.6201279E+01 Qxc -0.3220639E+01 3,-1 83 3 +1 -4.455038 -1.887555 0.208256 Rho 0.2373756E-01 |GRAD(Rho)| 0.3856662E-16 GRAD(Rho)x 0.2898853E-16 GRAD(Rho)y -0.2441676E-16 GRAD(Rho)z 0.7132439E-17 Laplacian 0.8396697E-01 (-1/4)Del**2(Rho)) -0.2099174E-01 Diamond 0.1056319E-01 Metallicity 0.1609032E+01 Ellipticity -0.8859317E+01 Gb(Abramov) 0.1962389E-01 Vb(Abramov) -0.1825605E-01 Hb(Abramov) 0.1367849E-02 Ex_ueg -0.5038483E-02 Ec_ueg -0.1025365E-02 Delta_ex -0.5189872E-02 Delta_ec 0.1494913E-02 Delta_et -0.1301027E-01 Pxc 0.4913845E+01 Qxc -0.3471689E+01 3,+1 84 3 -1 -4.202822 -1.701141 1.185975 Rho 0.5007571E-01 |GRAD(Rho)| 0.4999607E-13 GRAD(Rho)x 0.8711013E-14 GRAD(Rho)y 0.4918235E-13 GRAD(Rho)z -0.2195910E-14 Laplacian 0.2051037E+00 (-1/4)Del**2(Rho)) -0.5127593E-01 Diamond 0.1116331E+00 Metallicity 0.2285695E+01 Ellipticity 0.5155515E-01 Gb(Abramov) 0.5371747E-01 Vb(Abramov) -0.5615901E-01 Hb(Abramov) -0.2441542E-02 Ex_ueg -0.1363184E-01 Ec_ueg -0.2419060E-02 Delta_ex -0.1720932E-01 Delta_ec 0.6683059E-02 Delta_et -0.7066283E-01 Pxc 0.5635183E+01 Qxc -0.2575066E+01 3,-1 85 3 +3 -2.978774 -2.686536 0.666903 Rho 0.8015517E-02 |GRAD(Rho)| 0.1950844E-11 GRAD(Rho)x 0.1490321E-11 GRAD(Rho)y -0.8471758E-12 GRAD(Rho)z -0.9311436E-12 Laplacian 0.2991757E-01 (-1/4)Del**2(Rho)) -0.7479392E-02 Diamond 0.5397046E-03 Metallicity 0.7394454E+00 Ellipticity -0.8818132E+00 Gb(Abramov) 0.5908028E-02 Vb(Abramov) -0.4336664E-02 Hb(Abramov) 0.1571364E-02 Ex_ueg -0.1184751E-02 Ec_ueg -0.2789051E-03 Delta_ex -0.1249781E-02 Delta_ec 0.2551042E-03 Delta_et -0.1849838E-02 Pxc 0.4247865E+01 Qxc -0.4899100E+01 3,+3 86 3 +1 -5.255166 -1.738927 1.378794 Rho 0.2541213E-01 |GRAD(Rho)| 0.6861530E-16 GRAD(Rho)x -0.4921464E-16 GRAD(Rho)y 0.4697329E-16 GRAD(Rho)z 0.8915645E-17 Laplacian 0.9326564E-01 (-1/4)Del**2(Rho)) -0.2331641E-01 Diamond 0.1286793E-01 Metallicity 0.1622905E+01 Ellipticity -0.8368365E+01 Gb(Abramov) 0.2185099E-01 Vb(Abramov) -0.2038558E-01 Hb(Abramov) 0.1465416E-02 Ex_ueg -0.5517890E-02 Ec_ueg -0.1109486E-02 Delta_ex -0.5867687E-02 Delta_ec 0.1657043E-02 Delta_et -0.1466918E-01 Pxc 0.4973373E+01 Qxc -0.3541060E+01 3,+1 87 3 +1 3.737616 -1.540313 0.567993 Rho 0.8966152E-02 |GRAD(Rho)| 0.3970016E-16 GRAD(Rho)x 0.1445717E-16 GRAD(Rho)y -0.1949830E-16 GRAD(Rho)z 0.3141512E-16 Laplacian 0.3486859E-01 (-1/4)Del**2(Rho)) -0.8717147E-02 Diamond 0.7220178E-03 Metallicity 0.7647550E+00 Ellipticity -0.1125734E+01 Gb(Abramov) 0.6922512E-02 Vb(Abramov) -0.5127876E-02 Hb(Abramov) 0.1794635E-02 Ex_ueg -0.1375709E-02 Ec_ueg -0.3213924E-03 Delta_ex -0.1496627E-02 Delta_ec 0.2884776E-03 Delta_et -0.2155045E-02 Pxc 0.4280465E+01 Qxc -0.5188019E+01 3,+1 88 3 -1 3.403596 0.814357 -1.277971 Rho 0.1894778E+00 |GRAD(Rho)| 0.2076908E-15 GRAD(Rho)x -0.1020776E-15 GRAD(Rho)y -0.1852630E-16 GRAD(Rho)z -0.1799234E-15 Laplacian 0.6797453E+00 (-1/4)Del**2(Rho)) -0.1699363E+00 Diamond 0.1814585E+01 Metallicity 0.6336716E+01 Ellipticity 0.1035122E-01 Gb(Abramov) 0.2927639E+00 Vb(Abramov) -0.4155915E+00 Hb(Abramov) -0.1228276E+00 Ex_ueg -0.8037659E-01 Ec_ueg -0.1101697E-01 Delta_ex -0.7731484E-01 Delta_ec 0.1611984E-01 Delta_et -0.2201838E+00 Pxc 0.7295705E+01 Qxc -0.4796254E+01 3,-1 89 3 +1 5.584110 -5.841051 1.851552 Rho 0.2013333E-01 |GRAD(Rho)| 0.3835187E-16 GRAD(Rho)x -0.2814742E-16 GRAD(Rho)y 0.2241249E-16 GRAD(Rho)z 0.1327664E-16 Laplacian 0.6318937E-01 (-1/4)Del**2(Rho)) -0.1579734E-01 Diamond 0.5316633E-02 Metallicity 0.1624906E+01 Ellipticity -0.3708214E+01 Gb(Abramov) 0.1480976E-01 Vb(Abramov) -0.1382218E-01 Hb(Abramov) 0.9875801E-03 Ex_ueg -0.4045192E-02 Ec_ueg -0.8469533E-03 Delta_ex -0.3591982E-02 Delta_ec 0.8601559E-03 Delta_et -0.7273155E-02 Pxc 0.4776169E+01 Qxc -0.4175967E+01 3,+1 90 3 +1 3.799560 -2.729503 1.143093 Rho 0.3145762E-01 |GRAD(Rho)| 0.6186498E-16 GRAD(Rho)x 0.2801097E-16 GRAD(Rho)y 0.4478967E-16 GRAD(Rho)z 0.3219546E-16 Laplacian 0.1042927E+00 (-1/4)Del**2(Rho)) -0.2607316E-01 Diamond 0.1437938E-01 Metallicity 0.2071266E+01 Ellipticity -0.2887341E+01 Gb(Abramov) 0.2638285E-01 Vb(Abramov) -0.2669254E-01 Hb(Abramov) -0.3096890E-03 Ex_ueg -0.7334203E-02 Ec_ueg -0.1419035E-02 Delta_ex -0.6553006E-02 Delta_ec 0.1150164E-02 Delta_et -0.1075694E-01 Pxc 0.5168443E+01 Qxc -0.5697452E+01 3,+1 91 3 -1 -7.952931 -2.234020 -0.296194 Rho 0.2461985E-01 |GRAD(Rho)| 0.1235902E-16 GRAD(Rho)x 0.6069309E-17 GRAD(Rho)y -0.2833325E-17 GRAD(Rho)z -0.1038658E-16 Laplacian 0.9533247E-01 (-1/4)Del**2(Rho)) -0.2383312E-01 Diamond 0.1788284E-01 Metallicity 0.1506080E+01 Ellipticity 0.3439953E-01 Gb(Abramov) 0.2187118E-01 Vb(Abramov) -0.1990924E-01 Hb(Abramov) 0.1961941E-02 Ex_ueg -0.5289716E-02 Ec_ueg -0.1069593E-02 Delta_ex -0.6533977E-02 Delta_ec 0.2740776E-02 Delta_et -0.2383021E-01 Pxc 0.4945539E+01 Qxc -0.2383988E+01 3,-1 92 3 -1 -7.561984 -2.281052 1.847016 Rho 0.1410041E+00 |GRAD(Rho)| 0.1905390E-14 GRAD(Rho)x -0.1782781E-14 GRAD(Rho)y 0.6575415E-15 GRAD(Rho)z -0.1408650E-15 Laplacian 0.5580658E+00 (-1/4)Del**2(Rho)) -0.1395165E+00 Diamond 0.1050820E+01 Metallicity 0.4716800E+01 Ellipticity 0.3291377E-01 Gb(Abramov) 0.2026895E+00 Vb(Abramov) -0.2658626E+00 Hb(Abramov) -0.6317305E-01 Ex_ueg -0.5420352E-01 Ec_ueg -0.7870159E-02 Delta_ex -0.5903987E-01 Delta_ec 0.1439344E-01 Delta_et -0.1899375E+00 Pxc 0.6887220E+01 Qxc -0.4101860E+01 3,-1 93 3 +1 -7.953838 -1.125811 -1.475305 Rho 0.1139840E-01 |GRAD(Rho)| 0.1078351E-16 GRAD(Rho)x -0.8527134E-17 GRAD(Rho)y -0.5957032E-17 GRAD(Rho)z -0.2843575E-17 Laplacian 0.4164393E-01 (-1/4)Del**2(Rho)) -0.1041098E-01 Diamond 0.1053273E-02 Metallicity 0.9552886E+00 Ellipticity -0.1182637E+01 Gb(Abramov) 0.8598237E-02 Vb(Abramov) -0.6785492E-02 Hb(Abramov) 0.1812745E-02 Ex_ueg -0.1894568E-02 Ec_ueg -0.4318687E-03 Delta_ex -0.1864151E-02 Delta_ec 0.2632587E-03 Delta_et -0.2168011E-02 Pxc 0.4386907E+01 Qxc -0.7081062E+01 3,+1 94 3 +1 -8.007696 -2.992650 -0.282219 Rho 0.1788689E-01 |GRAD(Rho)| 0.2845671E-12 GRAD(Rho)x 0.7723385E-13 GRAD(Rho)y -0.2730177E-12 GRAD(Rho)z -0.2178789E-13 Laplacian 0.5687772E-01 (-1/4)Del**2(Rho)) -0.1421943E-01 Diamond 0.3730458E-02 Metallicity 0.1482162E+01 Ellipticity -0.2312525E+01 Gb(Abramov) 0.1299220E-01 Vb(Abramov) -0.1176497E-01 Hb(Abramov) 0.1227227E-02 Ex_ueg -0.3454867E-02 Ec_ueg -0.7377212E-03 Delta_ex -0.3074451E-02 Delta_ec 0.6728206E-03 Delta_et -0.5587289E-02 Pxc 0.4683161E+01 Qxc -0.4569495E+01 3,+1 95 3 +3 -7.803174 -1.349925 -1.325459 Rho 0.1115470E-01 |GRAD(Rho)| 0.1083837E-12 GRAD(Rho)x 0.1790260E-13 GRAD(Rho)y -0.6062969E-13 GRAD(Rho)z -0.8803729E-13 Laplacian 0.3744899E-01 (-1/4)Del**2(Rho)) -0.9362246E-02 Diamond 0.5662725E-03 Metallicity 0.1024715E+01 Ellipticity -0.6429592E+00 Gb(Abramov) 0.7840437E-02 Vb(Abramov) -0.6318627E-02 Hb(Abramov) 0.1521810E-02 Ex_ueg -0.1840754E-02 Ec_ueg -0.4206891E-03 Delta_ex -0.1553679E-02 Delta_ec 0.3602836E-04 Delta_et -0.6241073E-03 Pxc 0.4375568E+01 Qxc -0.4312377E+02 3,+3 96 3 +1 -7.770758 -1.554940 -0.328398 Rho 0.1845178E-01 |GRAD(Rho)| 0.1713912E-16 GRAD(Rho)x -0.1453949E-16 GRAD(Rho)y 0.8285828E-17 GRAD(Rho)z 0.3701037E-17 Laplacian 0.6013346E-01 (-1/4)Del**2(Rho)) -0.1503337E-01 Diamond 0.3795048E-02 Metallicity 0.1476480E+01 Ellipticity -0.1928804E+01 Gb(Abramov) 0.1372165E-01 Vb(Abramov) -0.1240994E-01 Hb(Abramov) 0.1311712E-02 Ex_ueg -0.3601108E-02 Ec_ueg -0.7650392E-03 Delta_ex -0.3225891E-02 Delta_ec 0.6176787E-03 Delta_et -0.5220797E-02 Pxc 0.4707090E+01 Qxc -0.5222605E+01 3,+1 97 3 -1 -5.087180 -3.961140 -0.948556 Rho 0.1511914E+00 |GRAD(Rho)| 0.4014268E-14 GRAD(Rho)x 0.3671312E-14 GRAD(Rho)y 0.1550301E-14 GRAD(Rho)z -0.4820634E-15 Laplacian 0.5818163E+00 (-1/4)Del**2(Rho)) -0.1454541E+00 Diamond 0.1192304E+01 Metallicity 0.5082052E+01 Ellipticity 0.4532224E-01 Gb(Abramov) 0.2201702E+00 Vb(Abramov) -0.2948864E+00 Hb(Abramov) -0.7471616E-01 Ex_ueg -0.5948687E-01 Ec_ueg -0.8519824E-02 Delta_ex -0.6262295E-01 Delta_ec 0.1476814E-01 Delta_et -0.1968905E+00 Pxc 0.6982172E+01 Qxc -0.4240408E+01 3,-1 98 3 -1 2.238698 -3.260326 2.089129 Rho 0.1281896E+00 |GRAD(Rho)| 0.2957805E-15 GRAD(Rho)x -0.8929760E-16 GRAD(Rho)y 0.2817841E-15 GRAD(Rho)z 0.1047610E-16 Laplacian 0.4704152E+00 (-1/4)Del**2(Rho)) -0.1176038E+00 Diamond 0.8032100E+00 Metallicity 0.4774046E+01 Ellipticity 0.2288999E-01 Gb(Abramov) 0.1719769E+00 Vb(Abramov) -0.2263499E+00 Hb(Abramov) -0.5437306E-01 Ex_ueg -0.4773705E-01 Ec_ueg -0.7062326E-02 Delta_ex -0.4879460E-01 Delta_ec 0.1270483E-01 Delta_et -0.1656892E+00 Pxc 0.6759395E+01 Qxc -0.3840633E+01 3,-1 99 3 -1 2.718350 -4.721342 1.821718 Rho 0.7076960E-01 |GRAD(Rho)| 0.1191301E-12 GRAD(Rho)x 0.8451928E-13 GRAD(Rho)y -0.5814896E-13 GRAD(Rho)z -0.6055711E-13 Laplacian 0.2785954E+00 (-1/4)Del**2(Rho)) -0.6964885E-01 Diamond 0.2266215E+00 Metallicity 0.2994910E+01 Ellipticity 0.1203840E-01 Gb(Abramov) 0.8119791E-01 Vb(Abramov) -0.9274697E-01 Hb(Abramov) -0.1154906E-01 Ex_ueg -0.2161959E-01 Ec_ueg -0.3591606E-02 Delta_ex -0.2505932E-01 Delta_ec 0.8285399E-02 Delta_et -0.9541040E-01 Pxc 0.6019477E+01 Qxc -0.3024516E+01 3,-1 100 3 -1 2.685655 -2.950541 0.852571 Rho 0.1011072E+00 |GRAD(Rho)| 0.5952542E-14 GRAD(Rho)x 0.5848986E-14 GRAD(Rho)y -0.1096460E-14 GRAD(Rho)z 0.1410276E-15 Laplacian 0.3803412E+00 (-1/4)Del**2(Rho)) -0.9508529E-01 Diamond 0.4791924E+00 Metallicity 0.3975669E+01 Ellipticity 0.1716826E-01 Gb(Abramov) 0.1263948E+00 Vb(Abramov) -0.1577043E+00 Hb(Abramov) -0.3130950E-01 Ex_ueg -0.3478788E-01 Ec_ueg -0.5392173E-02 Delta_ex -0.3715760E-01 Delta_ec 0.1057486E-01 Delta_et -0.1316414E+00 Pxc 0.6451552E+01 Qxc -0.3513767E+01 3,-1 101 3 -1 1.790791 -1.902425 2.425060 Rho 0.1284516E+00 |GRAD(Rho)| 0.2084632E-15 GRAD(Rho)x -0.1071056E-15 GRAD(Rho)y 0.8006833E-16 GRAD(Rho)z 0.1599198E-15 Laplacian 0.4939756E+00 (-1/4)Del**2(Rho)) -0.1234939E+00 Diamond 0.8556904E+00 Metallicity 0.4561840E+01 Ellipticity 0.1061528E+00 Gb(Abramov) 0.1762225E+00 Vb(Abramov) -0.2289511E+00 Hb(Abramov) -0.5272860E-01 Ex_ueg -0.4786716E-01 Ec_ueg -0.7078731E-02 Delta_ex -0.5138818E-01 Delta_ec 0.1355739E-01 Delta_et -0.1772666E+00 Pxc 0.6762110E+01 Qxc -0.3790419E+01 3,-1 102 3 +1 4.733329 -6.365526 1.378770 Rho 0.1157731E-01 |GRAD(Rho)| 0.1423359E-16 GRAD(Rho)x 0.1366519E-16 GRAD(Rho)y -0.2660648E-17 GRAD(Rho)z -0.2962866E-17 Laplacian 0.4170132E-01 (-1/4)Del**2(Rho)) -0.1042533E-01 Diamond 0.9459397E-03 Metallicity 0.9790602E+00 Ellipticity -0.1070987E+01 Gb(Abramov) 0.8651392E-02 Vb(Abramov) -0.6877452E-02 Hb(Abramov) 0.1773939E-02 Ex_ueg -0.1934321E-02 Ec_ueg -0.4400915E-03 Delta_ex -0.1835053E-02 Delta_ec 0.1922705E-03 Delta_et -0.1702321E-02 Pxc 0.4395271E+01 Qxc -0.9544121E+01 3,+1 103 3 -1 4.303249 -6.682747 2.847425 Rho 0.1021025E+00 |GRAD(Rho)| 0.8515800E-15 GRAD(Rho)x 0.2080313E-15 GRAD(Rho)y -0.3815011E-15 GRAD(Rho)z 0.7323718E-15 Laplacian 0.4062335E+00 (-1/4)Del**2(Rho)) -0.1015584E+00 Diamond 0.5226217E+00 Metallicity 0.3783536E+01 Ellipticity 0.2716034E-01 Gb(Abramov) 0.1317472E+00 Vb(Abramov) -0.1619361E+00 Hb(Abramov) -0.3018884E-01 Ex_ueg -0.3524521E-01 Ec_ueg -0.5452588E-02 Delta_ex -0.3985661E-01 Delta_ec 0.1141063E-01 Delta_et -0.1424968E+00 Pxc 0.6463942E+01 Qxc -0.3492938E+01 3,-1 104 3 +3 4.757381 -6.281982 1.407819 Rho 0.1157043E-01 |GRAD(Rho)| 0.2143865E-16 GRAD(Rho)x 0.1365780E-16 GRAD(Rho)y -0.8062722E-17 GRAD(Rho)z 0.1442473E-16 Laplacian 0.4065709E-01 (-1/4)Del**2(Rho)) -0.1016427E-01 Diamond 0.7891088E-03 Metallicity 0.1003212E+01 Ellipticity -0.9126026E+00 Gb(Abramov) 0.8475667E-02 Vb(Abramov) -0.6787063E-02 Hb(Abramov) 0.1688604E-02 Ex_ueg -0.1932788E-02 Ec_ueg -0.4397749E-03 Delta_ex -0.1748633E-02 Delta_ec 0.1157544E-03 Delta_et -0.1182856E-02 Pxc 0.4394949E+01 Qxc -0.1510640E+02 3,+3 105 3 -1 4.721554 -5.887131 3.966572 Rho 0.1024324E+00 |GRAD(Rho)| 0.2910199E-15 GRAD(Rho)x 0.1862456E-15 GRAD(Rho)y 0.1773213E-15 GRAD(Rho)z 0.1362436E-15 Laplacian 0.4064037E+00 (-1/4)Del**2(Rho)) -0.1016009E+00 Diamond 0.5234385E+00 Metallicity 0.3802340E+01 Ellipticity 0.2811807E-01 Gb(Abramov) 0.1321208E+00 Vb(Abramov) -0.1626407E+00 Hb(Abramov) -0.3051990E-01 Ex_ueg -0.3539713E-01 Ec_ueg -0.5472631E-02 Delta_ex -0.3987942E-01 Delta_ec 0.1136469E-01 Delta_et -0.1419601E+00 Pxc 0.6468028E+01 Qxc -0.3509065E+01 3,-1 106 3 -1 5.305137 -5.996922 -0.018654 Rho 0.9926001E-01 |GRAD(Rho)| 0.2202937E-13 GRAD(Rho)x -0.8939166E-14 GRAD(Rho)y -0.1945662E-13 GRAD(Rho)z 0.5179224E-14 Laplacian 0.3954639E+00 (-1/4)Del**2(Rho)) -0.9886598E-01 Diamond 0.4909360E+00 Metallicity 0.3707918E+01 Ellipticity 0.3081513E-01 Gb(Abramov) 0.1270085E+00 Vb(Abramov) -0.1551510E+00 Hb(Abramov) -0.2814250E-01 Ex_ueg -0.3394305E-01 Ec_ueg -0.5280248E-02 Delta_ex -0.3853250E-01 Delta_ec 0.1115276E-01 Delta_et -0.1384647E+00 Pxc 0.6428305E+01 Qxc -0.3454975E+01 3,-1 107 3 +1 4.458129 -5.721673 2.304654 Rho 0.2161873E-01 |GRAD(Rho)| 0.1197046E-10 GRAD(Rho)x 0.8946695E-11 GRAD(Rho)y -0.1445569E-12 GRAD(Rho)z 0.7951579E-11 Laplacian 0.7077952E-01 (-1/4)Del**2(Rho)) -0.1769488E-01 Diamond 0.5675095E-02 Metallicity 0.1633387E+01 Ellipticity -0.2159571E+01 Gb(Abramov) 0.1661368E-01 Vb(Abramov) -0.1553249E-01 Hb(Abramov) 0.1081196E-02 Ex_ueg -0.4447936E-02 Ec_ueg -0.9200274E-03 Delta_ex -0.3984232E-02 Delta_ec 0.7527903E-03 Delta_et -0.6556975E-02 Pxc 0.4834570E+01 Qxc -0.5292618E+01 3,+1 108 3 -1 6.163498 -4.871130 -0.209356 Rho 0.9654301E-01 |GRAD(Rho)| 0.3855373E-12 GRAD(Rho)x -0.6670887E-13 GRAD(Rho)y 0.3485384E-12 GRAD(Rho)z -0.1506981E-12 Laplacian 0.3864746E+00 (-1/4)Del**2(Rho)) -0.9661865E-01 Diamond 0.4634730E+00 Metallicity 0.3622654E+01 Ellipticity 0.3013732E-01 Gb(Abramov) 0.1227484E+00 Vb(Abramov) -0.1488782E+00 Hb(Abramov) -0.2612978E-01 Ex_ueg -0.3270992E-01 Ec_ueg -0.5116120E-02 Delta_ex -0.3740636E-01 Delta_ec 0.1094946E-01 Delta_et -0.1351602E+00 Pxc 0.6393502E+01 Qxc -0.3416273E+01 3,-1 109 3 +1 6.434465 -4.770834 1.614935 Rho 0.2061398E-01 |GRAD(Rho)| 0.7316689E-16 GRAD(Rho)x -0.6604638E-16 GRAD(Rho)y 0.1740197E-16 GRAD(Rho)z 0.2623815E-16 Laplacian 0.6489185E-01 (-1/4)Del**2(Rho)) -0.1622296E-01 Diamond 0.5707909E-02 Metallicity 0.1645733E+01 Ellipticity -0.4202307E+01 Gb(Abramov) 0.1526509E-01 Vb(Abramov) -0.1430721E-01 Hb(Abramov) 0.9578777E-03 Ex_ueg -0.4174464E-02 Ec_ueg -0.8705270E-03 Delta_ex -0.3721966E-02 Delta_ec 0.9002108E-03 Delta_et -0.7646270E-02 Pxc 0.4795330E+01 Qxc -0.4134549E+01 3,+1 110 3 +1 6.704725 -5.760239 2.217302 Rho 0.1129091E-01 |GRAD(Rho)| 0.1061922E-16 GRAD(Rho)x 0.6500556E-17 GRAD(Rho)y 0.6869615E-17 GRAD(Rho)z -0.4828981E-17 Laplacian 0.4167044E-01 (-1/4)Del**2(Rho)) -0.1041761E-01 Diamond 0.1000452E-02 Metallicity 0.9397239E+00 Ellipticity -0.1131110E+01 Gb(Abramov) 0.8576687E-02 Vb(Abramov) -0.6735763E-02 Hb(Abramov) 0.1840924E-02 Ex_ueg -0.1870785E-02 Ec_ueg -0.4269349E-03 Delta_ex -0.1847866E-02 Delta_ec 0.2411973E-03 Delta_et -0.2019269E-02 Pxc 0.4381898E+01 Qxc -0.7661224E+01 3,+1 111 3 +3 6.522075 -5.623729 2.189493 Rho 0.1118801E-01 |GRAD(Rho)| 0.3586565E-14 GRAD(Rho)x -0.2807481E-14 GRAD(Rho)y 0.2173583E-14 GRAD(Rho)z -0.5069860E-15 Laplacian 0.3843625E-01 (-1/4)Del**2(Rho)) -0.9609063E-02 Diamond 0.6169143E-03 Metallicity 0.1003368E+01 Ellipticity -0.7821811E+00 Gb(Abramov) 0.8012946E-02 Vb(Abramov) -0.6416829E-02 Hb(Abramov) 0.1596117E-02 Ex_ueg -0.1848086E-02 Ec_ueg -0.4222156E-03 Delta_ex -0.1606636E-02 Delta_ec 0.5581063E-04 Delta_et -0.7640565E-03 Pxc 0.4377114E+01 Qxc -0.2878728E+02 3,+3 112 3 +1 5.968209 -5.118828 2.882531 Rho 0.2008573E-01 |GRAD(Rho)| 0.5560871E-14 GRAD(Rho)x 0.5196735E-15 GRAD(Rho)y -0.4717649E-14 GRAD(Rho)z 0.2897760E-14 Laplacian 0.6273684E-01 (-1/4)Del**2(Rho)) -0.1568421E-01 Diamond 0.5197861E-02 Metallicity 0.1630184E+01 Ellipticity -0.3562388E+01 Gb(Abramov) 0.1471750E-01 Vb(Abramov) -0.1375078E-01 Hb(Abramov) 0.9667132E-03 Ex_ueg -0.4032446E-02 Ec_ueg -0.8446226E-03 Delta_ex -0.3554734E-02 Delta_ec 0.8375150E-03 Delta_et -0.7085394E-02 Pxc 0.4774257E+01 Qxc -0.4244382E+01 3,+1 113 3 +1 -8.426198 -3.336947 -1.394556 Rho 0.1125908E-01 |GRAD(Rho)| 0.4235144E-15 GRAD(Rho)x 0.1687576E-15 GRAD(Rho)y -0.3541895E-15 GRAD(Rho)z -0.1594841E-15 Laplacian 0.4240184E-01 (-1/4)Del**2(Rho)) -0.1060046E-01 Diamond 0.1098840E-02 Metallicity 0.9191792E+00 Ellipticity -0.1182159E+01 Gb(Abramov) 0.8690928E-02 Vb(Abramov) -0.6781395E-02 Hb(Abramov) 0.1909533E-02 Ex_ueg -0.1863756E-02 Ec_ueg -0.4254747E-03 Delta_ex -0.1905464E-02 Delta_ec 0.2930712E-03 Delta_et -0.2367654E-02 Pxc 0.4380417E+01 Qxc -0.6501709E+01 3,+1 114 3 +3 -5.444229 -1.789609 0.381477 Rho 0.1142931E-01 |GRAD(Rho)| 0.1207254E-15 GRAD(Rho)x 0.7544512E-16 GRAD(Rho)y -0.4140513E-16 GRAD(Rho)z 0.8466557E-16 Laplacian 0.4698065E-01 (-1/4)Del**2(Rho)) -0.1174516E-01 Diamond 0.7591097E-03 Metallicity 0.8506046E+00 Ellipticity -0.2189779E+00 Gb(Abramov) 0.9495189E-02 Vb(Abramov) -0.7245217E-02 Hb(Abramov) 0.2249972E-02 Ex_ueg -0.1901422E-02 Ec_ueg -0.4332886E-03 Delta_ex -0.1970950E-02 Delta_ec 0.5825728E-04 Delta_et -0.8661902E-03 Pxc 0.4388350E+01 Qxc -0.3383183E+02 3,+3 115 3 +1 -3.171223 -3.297266 0.497449 Rho 0.9725638E-02 |GRAD(Rho)| 0.1860413E-16 GRAD(Rho)x 0.1835876E-16 GRAD(Rho)y -0.7203698E-18 GRAD(Rho)z 0.2924169E-17 Laplacian 0.3477778E-01 (-1/4)Del**2(Rho)) -0.8694444E-02 Diamond 0.9422765E-03 Metallicity 0.8780277E+00 Ellipticity -0.1420217E+01 Gb(Abramov) 0.7068623E-02 Vb(Abramov) -0.5442802E-02 Hb(Abramov) 0.1625821E-02 Ex_ueg -0.1533237E-02 Ec_ueg -0.3556216E-03 Delta_ex -0.1578724E-02 Delta_ec 0.3811957E-03 Delta_et -0.2773105E-02 Pxc 0.4311428E+01 Qxc -0.4141505E+01 3,+1 116 3 -1 -3.209336 -3.664767 1.505159 Rho 0.2544768E-01 |GRAD(Rho)| 0.5827156E-16 GRAD(Rho)x -0.5384076E-16 GRAD(Rho)y 0.2025745E-16 GRAD(Rho)z 0.9294249E-17 Laplacian 0.8425991E-01 (-1/4)Del**2(Rho)) -0.2106498E-01 Diamond 0.2366538E-01 Metallicity 0.1800552E+01 Ellipticity 0.1089906E+00 Gb(Abramov) 0.2036475E-01 Vb(Abramov) -0.1966452E-01 Hb(Abramov) 0.7002262E-03 Ex_ueg -0.5528186E-02 Ec_ueg -0.1111280E-02 Delta_ex -0.6577722E-02 Delta_ec 0.3772815E-02 Delta_et -0.3293428E-01 Pxc 0.4974609E+01 Qxc -0.1743452E+01 3,-1 117 3 -1 -2.141005 -3.333960 -0.552975 Rho 0.1284207E+00 |GRAD(Rho)| 0.3021274E-14 GRAD(Rho)x 0.2384947E-14 GRAD(Rho)y -0.8897691E-15 GRAD(Rho)z 0.1627401E-14 Laplacian 0.5129997E+00 (-1/4)Del**2(Rho)) -0.1282499E+00 Diamond 0.8747854E+00 Metallicity 0.4390909E+01 Ellipticity 0.2515484E-01 Gb(Abramov) 0.1793556E+00 Vb(Abramov) -0.2304612E+00 Hb(Abramov) -0.5110565E-01 Ex_ueg -0.4785182E-01 Ec_ueg -0.7076797E-02 Delta_ex -0.5319752E-01 Delta_ec 0.1378271E-01 Delta_et -0.1796827E+00 Pxc 0.6761790E+01 Qxc -0.3859729E+01 3,-1 118 3 -1 3.769757 -5.806457 0.353827 Rho 0.1430556E+00 |GRAD(Rho)| 0.2138799E-14 GRAD(Rho)x 0.2961498E-15 GRAD(Rho)y -0.2106374E-14 GRAD(Rho)z 0.2234812E-15 Laplacian 0.5576872E+00 (-1/4)Del**2(Rho)) -0.1394218E+00 Diamond 0.1069382E+01 Metallicity 0.4835010E+01 Ellipticity 0.3398665E-01 Gb(Abramov) 0.2052988E+00 Vb(Abramov) -0.2711759E+00 Hb(Abramov) -0.6587703E-01 Ex_ueg -0.5525755E-01 Ec_ueg -0.8000466E-02 Delta_ex -0.5921759E-01 Delta_ec 0.1434995E-01 Delta_et -0.1898068E+00 Pxc 0.6906791E+01 Qxc -0.4126677E+01 3,-1 119 3 +1 4.953600 -5.372226 0.832860 Rho 0.2186197E-01 |GRAD(Rho)| 0.6025047E-16 GRAD(Rho)x -0.3921931E-16 GRAD(Rho)y -0.2793409E-16 GRAD(Rho)z -0.3621673E-16 Laplacian 0.6995468E-01 (-1/4)Del**2(Rho)) -0.1748867E-01 Diamond 0.5618556E-02 Metallicity 0.1683754E+01 Ellipticity -0.2198622E+01 Gb(Abramov) 0.1656688E-01 Vb(Abramov) -0.1564510E-01 Hb(Abramov) 0.9217862E-03 Ex_ueg -0.4514790E-02 Ec_ueg -0.9320557E-03 Delta_ex -0.3940049E-02 Delta_ec 0.7258744E-03 Delta_et -0.6346152E-02 Pxc 0.4843906E+01 Qxc -0.5428004E+01 3,+1 120 3 -1 6.215912 -6.547574 0.980770 Rho 0.1221877E+00 |GRAD(Rho)| 0.3977406E-15 GRAD(Rho)x 0.1976467E-15 GRAD(Rho)y 0.1605026E-15 GRAD(Rho)z -0.3055688E-15 Laplacian 0.4827151E+00 (-1/4)Del**2(Rho)) -0.1206788E+00 Diamond 0.7681581E+00 Metallicity 0.4295048E+01 Ellipticity 0.1424191E-02 Gb(Abramov) 0.1668394E+00 Vb(Abramov) -0.2130000E+00 Hb(Abramov) -0.4616059E-01 Ex_ueg -0.4478043E-01 Ec_ueg -0.6687698E-02 Delta_ex -0.4937144E-01 Delta_ec 0.1295277E-01 Delta_et -0.1671461E+00 Pxc 0.6695941E+01 Qxc -0.3811653E+01 3,-1 121 3 -1 5.693497 -6.905612 2.466141 Rho 0.1166075E+00 |GRAD(Rho)| 0.6889197E-15 GRAD(Rho)x 0.1662692E-15 GRAD(Rho)y -0.9424427E-16 GRAD(Rho)z -0.6618783E-15 Laplacian 0.4633376E+00 (-1/4)Del**2(Rho)) -0.1158344E+00 Diamond 0.6968787E+00 Metallicity 0.4139297E+01 Ellipticity 0.5889257E-02 Gb(Abramov) 0.1571351E+00 Vb(Abramov) -0.1984358E+00 Hb(Abramov) -0.4130070E-01 Ex_ueg -0.4207465E-01 Ec_ueg -0.6341622E-02 Delta_ex -0.4686338E-01 Delta_ec 0.1256516E-01 Delta_et -0.1608089E+00 Pxc 0.6634682E+01 Qxc -0.3729628E+01 3,-1 122 3 -1 6.125123 -6.097890 3.612695 Rho 0.1157252E+00 |GRAD(Rho)| 0.7939621E-14 GRAD(Rho)x 0.7220434E-14 GRAD(Rho)y -0.1958394E-14 GRAD(Rho)z -0.2658498E-14 Laplacian 0.4604912E+00 (-1/4)Del**2(Rho)) -0.1151228E+00 Diamond 0.6864387E+00 Metallicity 0.4112491E+01 Ellipticity 0.6701575E-02 Gb(Abramov) 0.1556554E+00 Vb(Abramov) -0.1961881E+00 Hb(Abramov) -0.4053264E-01 Ex_ueg -0.4165069E-01 Ec_ueg -0.6287101E-02 Delta_ex -0.4649366E-01 Delta_ec 0.1251340E-01 Delta_et -0.1599332E+00 Pxc 0.6624785E+01 Qxc -0.3715508E+01 3,-1 123 3 -1 -7.491013 -0.139058 -0.433415 Rho 0.1371219E+00 |GRAD(Rho)| 0.5990892E-15 GRAD(Rho)x -0.5791266E-15 GRAD(Rho)y -0.2551433E-16 GRAD(Rho)z 0.1512259E-15 Laplacian 0.5422996E+00 (-1/4)Del**2(Rho)) -0.1355749E+00 Diamond 0.9863903E+00 Metallicity 0.4633243E+01 Ellipticity 0.2866319E-01 Gb(Abramov) 0.1950752E+00 Vb(Abramov) -0.2545755E+00 Hb(Abramov) -0.5950028E-01 Ex_ueg -0.5222287E-01 Ec_ueg -0.7624297E-02 Delta_ex -0.5697165E-01 Delta_ec 0.1406074E-01 Delta_et -0.1847184E+00 Pxc 0.6849532E+01 Qxc -0.4051825E+01 3,-1 124 3 -1 -5.466410 -0.519099 -0.736920 Rho 0.7738059E-01 |GRAD(Rho)| 0.8051070E-13 GRAD(Rho)x -0.7140133E-13 GRAD(Rho)y 0.3611140E-13 GRAD(Rho)z 0.8932500E-14 Laplacian 0.2997284E+00 (-1/4)Del**2(Rho)) -0.7493211E-01 Diamond 0.2697747E+00 Metallicity 0.3230516E+01 Ellipticity 0.1978212E-01 Gb(Abramov) 0.9029964E-01 Vb(Abramov) -0.1056672E+00 Hb(Abramov) -0.1536753E-01 Ex_ueg -0.2435348E-01 Ec_ueg -0.3976632E-02 Delta_ex -0.2745783E-01 Delta_ec 0.8670507E-02 Delta_et -0.1018547E+00 Pxc 0.6124148E+01 Qxc -0.3166808E+01 3,-1 125 3 +1 -5.423784 -0.568100 0.145697 Rho 0.3104332E-01 |GRAD(Rho)| 0.6791035E-13 GRAD(Rho)x -0.6168688E-13 GRAD(Rho)y 0.2720298E-13 GRAD(Rho)z -0.8157346E-14 Laplacian 0.1048350E+00 (-1/4)Del**2(Rho)) -0.2620875E-01 Diamond 0.1171757E-01 Metallicity 0.2015520E+01 Ellipticity -0.1893505E+01 Gb(Abramov) 0.2627654E-01 Vb(Abramov) -0.2634434E-01 Hb(Abramov) -0.6779233E-04 Ex_ueg -0.7205696E-02 Ec_ueg -0.1397547E-02 Delta_ex -0.6361058E-02 Delta_ec 0.7969749E-03 Delta_et -0.7468630E-02 Pxc 0.5155958E+01 Qxc -0.7981504E+01 3,+1 126 3 -1 -4.956737 -0.536717 1.287510 Rho 0.1175114E+00 |GRAD(Rho)| 0.6878050E-13 GRAD(Rho)x 0.6784186E-13 GRAD(Rho)y 0.1091208E-13 GRAD(Rho)z -0.3027484E-14 Laplacian 0.4373772E+00 (-1/4)Del**2(Rho)) -0.1093443E+00 Diamond 0.6661389E+00 Metallicity 0.4441779E+01 Ellipticity 0.1786407E-01 Gb(Abramov) 0.1538434E+00 Vb(Abramov) -0.1983425E+00 Hb(Abramov) -0.4449910E-01 Ex_ueg -0.4251005E-01 Ec_ueg -0.6397530E-02 Delta_ex -0.4434871E-01 Delta_ec 0.1189337E-01 Delta_et -0.1525062E+00 Pxc 0.6644760E+01 Qxc -0.3728859E+01 3,-1 127 3 +1 1.041407 -4.218048 0.538089 Rho 0.4164740E-02 |GRAD(Rho)| 0.6151481E-11 GRAD(Rho)x 0.1503434E-11 GRAD(Rho)y -0.5928290E-11 GRAD(Rho)z -0.6601414E-12 Laplacian 0.1486336E-01 (-1/4)Del**2(Rho)) -0.3715840E-02 Diamond 0.2125960E-03 Metallicity 0.4998150E+00 Ellipticity -0.1749668E+01 Gb(Abramov) 0.2786765E-02 Vb(Abramov) -0.1857691E-02 Hb(Abramov) 0.9290745E-03 Ex_ueg -0.4948826E-03 Ec_ueg -0.1111471E-03 Delta_ex -0.6443702E-03 Delta_ec 0.3441881E-03 Delta_et -0.1820082E-02 Pxc 0.4452500E+01 Qxc -0.1872146E+01 3,+1 128 3 +1 2.899671 -2.227128 3.361675 Rho 0.1261901E-01 |GRAD(Rho)| 0.1019504E-16 GRAD(Rho)x 0.8424732E-17 GRAD(Rho)y -0.5687159E-17 GRAD(Rho)z 0.7867640E-18 Laplacian 0.4615033E-01 (-1/4)Del**2(Rho)) -0.1153758E-01 Diamond 0.1299625E-02 Metallicity 0.1021285E+01 Ellipticity -0.1185159E+01 Gb(Abramov) 0.9655581E-02 Vb(Abramov) -0.7773580E-02 Hb(Abramov) 0.1882001E-02 Ex_ueg -0.2169794E-02 Ec_ueg -0.4882193E-03 Delta_ex -0.2114621E-02 Delta_ec 0.2701077E-03 Delta_et -0.2296161E-02 Pxc 0.4444302E+01 Qxc -0.7828807E+01 3,+1 129 3 -1 1.177438 -2.478543 1.121720 Rho 0.1395072E+00 |GRAD(Rho)| 0.1243047E-15 GRAD(Rho)x -0.9183192E-16 GRAD(Rho)y -0.7883844E-16 GRAD(Rho)z -0.2833833E-16 Laplacian 0.6087962E+00 (-1/4)Del**2(Rho)) -0.1521990E+00 Diamond 0.1125643E+01 Metallicity 0.4247520E+01 Ellipticity 0.1243435E-01 Gb(Abramov) 0.2092108E+00 Vb(Abramov) -0.2662225E+00 Hb(Abramov) -0.5701173E-01 Ex_ueg -0.5343761E-01 Ec_ueg -0.7775242E-02 Delta_ex -0.6417272E-01 Delta_ec 0.1562330E-01 Delta_et -0.2055884E+00 Pxc 0.6872791E+01 Qxc -0.4107501E+01 3,-1 130 3 -1 3.116271 -2.183267 1.905547 Rho 0.9204742E-01 |GRAD(Rho)| 0.1547772E-12 GRAD(Rho)x -0.1475663E-12 GRAD(Rho)y -0.1411804E-13 GRAD(Rho)z -0.4450674E-13 Laplacian 0.3517287E+00 (-1/4)Del**2(Rho)) -0.8793219E-01 Diamond 0.3971692E+00 Metallicity 0.3676416E+01 Ellipticity 0.2354958E-02 Gb(Abramov) 0.1125007E+00 Vb(Abramov) -0.1370692E+00 Hb(Abramov) -0.2456849E-01 Ex_ueg -0.3069497E-01 Ec_ueg -0.4845885E-02 Delta_ex -0.3365150E-01 Delta_ec 0.1003304E-01 Delta_et -0.1225954E+00 Pxc 0.6334233E+01 Qxc -0.3354069E+01 3,-1 131 3 -1 5.260162 -7.393263 3.912406 Rho 0.1984473E+00 |GRAD(Rho)| 0.1582853E-13 GRAD(Rho)x -0.4427882E-15 GRAD(Rho)y 0.1313500E-13 GRAD(Rho)z -0.8821448E-14 Laplacian 0.7220126E+00 (-1/4)Del**2(Rho)) -0.1805031E+00 Diamond 0.2029629E+01 Metallicity 0.6443824E+01 Ellipticity 0.3646109E-03 Gb(Abramov) 0.3141905E+00 Vb(Abramov) -0.4478779E+00 Hb(Abramov) -0.1336874E+00 Ex_ueg -0.8548933E-01 Ec_ueg -0.1161417E-01 Delta_ex -0.8303996E-01 Delta_ec 0.1681176E-01 Delta_et -0.2302298E+00 Pxc 0.7360776E+01 Qxc -0.4939398E+01 3,-1 132 3 -1 6.803143 -6.323149 -0.474491 Rho 0.1980224E+00 |GRAD(Rho)| 0.5829419E-15 GRAD(Rho)x -0.4311872E-15 GRAD(Rho)y 0.1846396E-15 GRAD(Rho)z 0.3461315E-15 Laplacian 0.7238892E+00 (-1/4)Del**2(Rho)) -0.1809723E+00 Diamond 0.2027404E+01 Metallicity 0.6404202E+01 Ellipticity 0.2484341E-03 Gb(Abramov) 0.3138120E+00 Vb(Abramov) -0.4466518E+00 Hb(Abramov) -0.1328397E+00 Ex_ueg -0.8524538E-01 Ec_ueg -0.1158578E-01 Delta_ex -0.8319464E-01 Delta_ec 0.1683752E-01 Delta_et -0.2304471E+00 Pxc 0.7357757E+01 Qxc -0.4941027E+01 3,-1 133 3 -1 5.700357 -5.166180 1.106735 Rho 0.3601584E-01 |GRAD(Rho)| 0.3816183E-15 GRAD(Rho)x 0.3729586E-15 GRAD(Rho)y -0.4648178E-16 GRAD(Rho)z -0.6613549E-16 Laplacian 0.1405711E+00 (-1/4)Del**2(Rho)) -0.3514277E-01 Diamond 0.4487099E-01 Metallicity 0.1925484E+01 Ellipticity 0.1239660E-01 Gb(Abramov) 0.3470632E-01 Vb(Abramov) -0.3426986E-01 Hb(Abramov) 0.4364515E-03 Ex_ueg -0.8784354E-02 Ec_ueg -0.1657886E-02 Delta_ex -0.1061414E-01 Delta_ec 0.4108812E-02 Delta_et -0.3968404E-01 Pxc 0.5298528E+01 Qxc -0.2583262E+01 3,-1 134 3 -1 7.591548 -4.510911 2.035051 Rho 0.1199357E+00 |GRAD(Rho)| 0.1709173E-15 GRAD(Rho)x -0.4659359E-16 GRAD(Rho)y 0.7375285E-16 GRAD(Rho)z 0.1469772E-15 Laplacian 0.4740008E+00 (-1/4)Del**2(Rho)) -0.1185002E+00 Diamond 0.7374572E+00 Metallicity 0.4240477E+01 Ellipticity 0.2802996E-03 Gb(Abramov) 0.1627497E+00 Vb(Abramov) -0.2069992E+00 Hb(Abramov) -0.4424948E-01 Ex_ueg -0.4368337E-01 Ec_ueg -0.6547768E-02 Delta_ex -0.4826360E-01 Delta_ec 0.1277070E-01 Delta_et -0.1642576E+00 Pxc 0.6671491E+01 Qxc -0.3779245E+01 3,-1 135 3 -1 7.114487 -5.398925 0.771451 Rho 0.1184983E+00 |GRAD(Rho)| 0.2168060E-15 GRAD(Rho)x -0.1280714E-15 GRAD(Rho)y -0.1691152E-15 GRAD(Rho)z -0.4475044E-16 Laplacian 0.4699387E+00 (-1/4)Del**2(Rho)) -0.1174847E+00 Diamond 0.7203464E+00 Metallicity 0.4192040E+01 Ellipticity 0.6911359E-03 Gb(Abramov) 0.1604065E+00 Vb(Abramov) -0.2033284E+00 Hb(Abramov) -0.4292186E-01 Ex_ueg -0.4298674E-01 Ec_ueg -0.6458642E-02 Delta_ex -0.4770929E-01 Delta_ec 0.1269029E-01 Delta_et -0.1628663E+00 Pxc 0.6655694E+01 Qxc -0.3759511E+01 3,-1 136 3 +1 5.677353 -4.558218 0.679732 Rho 0.2347991E-01 |GRAD(Rho)| 0.1596166E-14 GRAD(Rho)x 0.7555152E-15 GRAD(Rho)y -0.1264692E-14 GRAD(Rho)z -0.6144086E-15 Laplacian 0.7813351E-01 (-1/4)Del**2(Rho)) -0.1953338E-01 Diamond 0.6094466E-02 Metallicity 0.1697996E+01 Ellipticity -0.1773680E+01 Gb(Abramov) 0.1855018E-01 Vb(Abramov) -0.1756699E-01 Hb(Abramov) 0.9831944E-03 Ex_ueg -0.4965698E-02 Ec_ueg -0.1012489E-02 Delta_ex -0.4391685E-02 Delta_ec 0.6345210E-03 Delta_et -0.5705270E-02 Pxc 0.4904448E+01 Qxc -0.6921260E+01 3,+1 137 3 -1 7.124897 -4.851362 3.392035 Rho 0.1234911E+00 |GRAD(Rho)| 0.6104446E-15 GRAD(Rho)x -0.2106266E-15 GRAD(Rho)y 0.5729466E-15 GRAD(Rho)z 0.3347474E-17 Laplacian 0.4873067E+00 (-1/4)Del**2(Rho)) -0.1218267E+00 Diamond 0.7851529E+00 Metallicity 0.4330488E+01 Ellipticity 0.2640211E-02 Gb(Abramov) 0.1691459E+00 Vb(Abramov) -0.2164652E+00 Hb(Abramov) -0.4731926E-01 Ex_ueg -0.4541847E-01 Ec_ueg -0.6768845E-02 Delta_ex -0.4996411E-01 Delta_ec 0.1303734E-01 Delta_et -0.1685344E+00 Pxc 0.6709930E+01 Qxc -0.3832386E+01 3,-1 138 3 +1 -6.385451 -2.628720 -1.893122 Rho 0.2309108E-01 |GRAD(Rho)| 0.1746828E-14 GRAD(Rho)x -0.1263478E-14 GRAD(Rho)y 0.1522901E-15 GRAD(Rho)z -0.1196595E-14 Laplacian 0.7459292E-01 (-1/4)Del**2(Rho)) -0.1864823E-01 Diamond 0.4818052E-02 Metallicity 0.1729774E+01 Ellipticity -0.1536277E+01 Gb(Abramov) 0.1780836E-01 Vb(Abramov) -0.1696849E-01 Hb(Abramov) 0.8398725E-03 Ex_ueg -0.4856359E-02 Ec_ueg -0.9930918E-03 Delta_ex -0.4067919E-02 Delta_ec 0.4191007E-03 Delta_et -0.3869711E-02 Pxc 0.4890141E+01 Qxc -0.9706304E+01 3,+1 139 3 +1 -6.333593 -1.506842 0.456468 Rho 0.2017925E-01 |GRAD(Rho)| 0.2920344E-14 GRAD(Rho)x -0.1343443E-14 GRAD(Rho)y 0.1282764E-14 GRAD(Rho)z 0.2253461E-14 Laplacian 0.6695247E-01 (-1/4)Del**2(Rho)) -0.1673812E-01 Diamond 0.6677024E-02 Metallicity 0.1539412E+01 Ellipticity -0.1664043E+02 Gb(Abramov) 0.1545322E-01 Vb(Abramov) -0.1416833E-01 Hb(Abramov) 0.1284896E-02 Ex_ueg -0.4057499E-02 Ec_ueg -0.8492026E-03 Delta_ex -0.3956525E-02 Delta_ec 0.1176107E-02 Delta_et -0.9828959E-02 Pxc 0.4778011E+01 Qxc -0.3364087E+01 3,+1 140 3 -1 -3.747747 -3.155927 -1.142247 Rho 0.1246399E+00 |GRAD(Rho)| 0.3327708E-16 GRAD(Rho)x -0.3119792E-16 GRAD(Rho)y -0.1114357E-16 GRAD(Rho)z 0.3142492E-17 Laplacian 0.5174743E+00 (-1/4)Del**2(Rho)) -0.1293686E+00 Diamond 0.8461987E+00 Metallicity 0.4141454E+01 Ellipticity 0.7454468E-02 Gb(Abramov) 0.1755414E+00 Vb(Abramov) -0.2217142E+00 Hb(Abramov) -0.4617281E-01 Ex_ueg -0.4598270E-01 Ec_ueg -0.6840464E-02 Delta_ex -0.5321452E-01 Delta_ec 0.1388507E-01 Delta_et -0.1798996E+00 Pxc 0.6722161E+01 Qxc -0.3832499E+01 3,-1 141 3 -1 -5.768641 -2.731585 -0.795286 Rho 0.9872462E-01 |GRAD(Rho)| 0.8136235E-15 GRAD(Rho)x -0.7650944E-15 GRAD(Rho)y 0.2149431E-15 GRAD(Rho)z 0.1743939E-15 Laplacian 0.3769709E+00 (-1/4)Del**2(Rho)) -0.9424273E-01 Diamond 0.4589204E+00 Metallicity 0.3854912E+01 Ellipticity 0.1159842E-01 Gb(Abramov) 0.1233781E+00 Vb(Abramov) -0.1525134E+00 Hb(Abramov) -0.2913532E-01 Ex_ueg -0.3369915E-01 Ec_ueg -0.5247859E-02 Delta_ex -0.3657992E-01 Delta_ec 0.1045699E-01 Delta_et -0.1294641E+00 Pxc 0.6421506E+01 Qxc -0.3498130E+01 3,-1 142 3 +1 -2.944308 -2.684253 0.785109 Rho 0.8023402E-02 |GRAD(Rho)| 0.1095540E-16 GRAD(Rho)x -0.4175165E-17 GRAD(Rho)y -0.9443020E-17 GRAD(Rho)z -0.3663076E-17 Laplacian 0.2984367E-01 (-1/4)Del**2(Rho)) -0.7460917E-02 Diamond 0.5768173E-03 Metallicity 0.7424922E+00 Ellipticity -0.1108402E+01 Gb(Abramov) 0.5897224E-02 Vb(Abramov) -0.4333530E-02 Hb(Abramov) 0.1563694E-02 Ex_ueg -0.1186305E-02 Ec_ueg -0.2792558E-03 Delta_ex -0.1265668E-02 Delta_ec 0.2877601E-03 Delta_et -0.2041547E-02 Pxc 0.4248095E+01 Qxc -0.4398347E+01 3,+1 143 3 +1 -3.136442 -2.461632 0.352179 Rho 0.8181433E-02 |GRAD(Rho)| 0.6495374E-16 GRAD(Rho)x 0.5926844E-16 GRAD(Rho)y -0.2315951E-16 GRAD(Rho)z 0.1303373E-16 Laplacian 0.3165859E-01 (-1/4)Del**2(Rho)) -0.7914649E-02 Diamond 0.5877867E-03 Metallicity 0.7230536E+00 Ellipticity -0.1117874E+01 Gb(Abramov) 0.6230218E-02 Vb(Abramov) -0.4545788E-02 Hb(Abramov) 0.1684430E-02 Ex_ueg -0.1217561E-02 Ec_ueg -0.2862914E-03 Delta_ex -0.1330050E-02 Delta_ec 0.2702919E-03 Delta_et -0.1968294E-02 Pxc 0.4252875E+01 Qxc -0.4920791E+01 3,+1 144 3 -1 0.707002 -5.479978 -0.153259 Rho 0.7409327E-01 |GRAD(Rho)| 0.1773097E-15 GRAD(Rho)x 0.1707981E-15 GRAD(Rho)y 0.1969277E-16 GRAD(Rho)z -0.4334661E-16 Laplacian 0.1320162E+00 (-1/4)Del**2(Rho)) -0.3300406E-01 Diamond 0.2364503E+00 Metallicity 0.6822608E+01 Ellipticity 0.5472004E-02 Gb(Abramov) 0.5953166E-01 Vb(Abramov) -0.8605927E-01 Hb(Abramov) -0.2652761E-01 Ex_ueg -0.2298388E-01 Ec_ueg -0.3784613E-02 Delta_ex -0.1513254E-01 Delta_ec 0.9488352E-02 Delta_et -0.1143945E+00 Pxc 0.6072980E+01 Qxc -0.1594855E+01 3,-1 145 3 -1 5.138860 -1.898492 0.073930 Rho 0.1496858E+00 |GRAD(Rho)| 0.2991514E-12 GRAD(Rho)x 0.5314294E-13 GRAD(Rho)y -0.2539134E-12 GRAD(Rho)z 0.1489812E-12 Laplacian 0.6220500E+00 (-1/4)Del**2(Rho)) -0.1555125E+00 Diamond 0.1251465E+01 Metallicity 0.4674722E+01 Ellipticity 0.1786277E-01 Gb(Abramov) 0.2248379E+00 Vb(Abramov) -0.2941634E+00 Hb(Abramov) -0.6932544E-01 Ex_ueg -0.5869837E-01 Ec_ueg -0.8423406E-02 Delta_ex -0.6670846E-01 Delta_ec 0.1568496E-01 Delta_et -0.2084929E+00 Pxc 0.6968483E+01 Qxc -0.4253020E+01 3,-1 146 3 -1 5.162494 -3.654891 1.308116 Rho 0.6930533E-01 |GRAD(Rho)| 0.3894216E-15 GRAD(Rho)x 0.1663509E-16 GRAD(Rho)y -0.2777523E-15 GRAD(Rho)z 0.2724448E-15 Laplacian 0.2700712E+00 (-1/4)Del**2(Rho)) -0.6751781E-01 Diamond 0.2093780E+00 Metallicity 0.2983636E+01 Ellipticity 0.2442305E-02 Gb(Abramov) 0.7858663E-01 Vb(Abramov) -0.8965546E-01 Hb(Abramov) -0.1106883E-01 Ex_ueg -0.2102522E-01 Ec_ueg -0.3506948E-02 Delta_ex -0.2404617E-01 Delta_ec 0.7826451E-02 Delta_et -0.8953588E-01 Pxc 0.5995304E+01 Qxc -0.3072423E+01 3,-1 147 3 -1 -10.203910 -1.790000 0.089647 Rho 0.2016428E+00 |GRAD(Rho)| 0.2452818E-14 GRAD(Rho)x -0.2032771E-14 GRAD(Rho)y -0.1038720E-14 GRAD(Rho)z -0.8973399E-15 Laplacian 0.7160955E+00 (-1/4)Del**2(Rho)) -0.1790239E+00 Diamond 0.2059521E+01 Metallicity 0.6672369E+01 Ellipticity 0.6753009E-03 Gb(Abramov) 0.3184348E+00 Vb(Abramov) -0.4578458E+00 Hb(Abramov) -0.1394109E+00 Ex_ueg -0.8732971E-01 Ec_ueg -0.1182803E-01 Delta_ex -0.8274684E-01 Delta_ec 0.1669091E-01 Delta_et -0.2291784E+00 Pxc 0.7383286E+01 Qxc -0.4957601E+01 3,-1 148 3 +1 -6.854765 -1.712104 -1.666873 Rho 0.2180165E-01 |GRAD(Rho)| 0.3105237E-16 GRAD(Rho)x -0.4766684E-17 GRAD(Rho)y 0.2056513E-16 GRAD(Rho)z -0.2277287E-16 Laplacian 0.7084696E-01 (-1/4)Del**2(Rho)) -0.1771174E-01 Diamond 0.5843801E-02 Metallicity 0.1654909E+01 Ellipticity -0.2298155E+01 Gb(Abramov) 0.1669305E-01 Vb(Abramov) -0.1567435E-01 Hb(Abramov) 0.1018694E-02 Ex_ueg -0.4498187E-02 Ec_ueg -0.9290709E-03 Delta_ex -0.4010059E-02 Delta_ec 0.7759518E-03 Delta_et -0.6758755E-02 Pxc 0.4841597E+01 Qxc -0.5167923E+01 3,+1 149 3 -1 -7.104940 -1.485757 -2.732060 Rho 0.1028131E+00 |GRAD(Rho)| 0.8320327E-16 GRAD(Rho)x 0.4540774E-16 GRAD(Rho)y 0.4691885E-16 GRAD(Rho)z 0.5157075E-16 Laplacian 0.4069096E+00 (-1/4)Del**2(Rho)) -0.1017274E+00 Diamond 0.5241764E+00 Metallicity 0.3821169E+01 Ellipticity 0.2825706E-01 Gb(Abramov) 0.1326045E+00 Vb(Abramov) -0.1634817E+00 Hb(Abramov) -0.3087714E-01 Ex_ueg -0.3557268E-01 Ec_ueg -0.5495775E-02 Delta_ex -0.3992631E-01 Delta_ec 0.1130287E-01 Delta_et -0.1412063E+00 Pxc 0.6472732E+01 Qxc -0.3532405E+01 3,-1 150 3 -1 -7.043437 -2.481088 -1.692771 Rho 0.3360807E-01 |GRAD(Rho)| 0.8114085E-16 GRAD(Rho)x -0.6281999E-16 GRAD(Rho)y -0.3624002E-18 GRAD(Rho)z -0.5135518E-16 Laplacian 0.1292615E+00 (-1/4)Del**2(Rho)) -0.3231537E-01 Diamond 0.3706695E-01 Metallicity 0.1865879E+01 Ellipticity 0.1848374E-01 Gb(Abramov) 0.3159301E-01 Vb(Abramov) -0.3087064E-01 Hb(Abramov) 0.7223636E-03 Ex_ueg -0.8010198E-02 Ec_ueg -0.1531174E-02 Delta_ex -0.9559619E-02 Delta_ec 0.3715989E-02 Delta_et -0.3521837E-01 Pxc 0.5231410E+01 Qxc -0.2572564E+01 3,-1 151 3 -1 -6.638265 -2.515590 0.681929 Rho 0.4221414E-01 |GRAD(Rho)| 0.5463585E-13 GRAD(Rho)x 0.4270097E-13 GRAD(Rho)y -0.7755252E-14 GRAD(Rho)z 0.3318976E-13 Laplacian 0.1676335E+00 (-1/4)Del**2(Rho)) -0.4190838E-01 Diamond 0.6897984E-01 Metallicity 0.2103853E+01 Ellipticity 0.2825088E-01 Gb(Abramov) 0.4263377E-01 Vb(Abramov) -0.4335916E-01 Hb(Abramov) -0.7253867E-03 Ex_ueg -0.1085581E-01 Ec_ueg -0.1989250E-02 Delta_ex -0.1330549E-01 Delta_ec 0.5142666E-02 Delta_et -0.5187589E-01 Pxc 0.5457237E+01 Qxc -0.2587275E+01 3,-1 152 3 -1 -7.514392 -4.592340 -1.458730 Rho 0.1151016E+00 |GRAD(Rho)| 0.6550133E-15 GRAD(Rho)x 0.3148726E-15 GRAD(Rho)y 0.4326577E-15 GRAD(Rho)z -0.3777631E-15 Laplacian 0.4553536E+00 (-1/4)Del**2(Rho)) -0.1138384E+00 Diamond 0.6735842E+00 Metallicity 0.4121607E+01 Ellipticity 0.6854458E-02 Gb(Abramov) 0.1540918E+00 Vb(Abramov) -0.1943452E+00 Hb(Abramov) -0.4025339E-01 Ex_ueg -0.4135171E-01 Ec_ueg -0.6248602E-02 Delta_ex -0.4590482E-01 Delta_ec 0.1236899E-01 Delta_et -0.1579020E+00 Pxc 0.6617754E+01 Qxc -0.3711282E+01 3,-1 153 3 -1 -7.036886 -3.628592 -0.476974 Rho 0.3822433E-01 |GRAD(Rho)| 0.6136106E-14 GRAD(Rho)x -0.5243511E-14 GRAD(Rho)y -0.2235942E-14 GRAD(Rho)z 0.2271113E-14 Laplacian 0.1514787E+00 (-1/4)Del**2(Rho)) -0.3786968E-01 Diamond 0.5297442E-01 Metallicity 0.1973156E+01 Ellipticity 0.2153373E-01 Gb(Abramov) 0.3770024E-01 Vb(Abramov) -0.3753081E-01 Hb(Abramov) 0.1694317E-03 Ex_ueg -0.9509803E-02 Ec_ueg -0.1775128E-02 Delta_ex -0.1164099E-01 Delta_ec 0.4485988E-02 Delta_et -0.4403594E-01 Pxc 0.5357248E+01 Qxc -0.2594968E+01 3,-1 154 3 -1 -4.217687 -0.730383 0.153556 Rho 0.1014707E+00 |GRAD(Rho)| 0.3728642E-15 GRAD(Rho)x 0.5632769E-16 GRAD(Rho)y 0.7313621E-16 GRAD(Rho)z 0.3612562E-15 Laplacian 0.3878047E+00 (-1/4)Del**2(Rho)) -0.9695118E-01 Diamond 0.4933838E+00 Metallicity 0.3922544E+01 Ellipticity 0.2738131E-01 Gb(Abramov) 0.1280167E+00 Vb(Abramov) -0.1590822E+00 Hb(Abramov) -0.3106548E-01 Ex_ueg -0.3495473E-01 Ec_ueg -0.5414228E-02 Delta_ex -0.3796326E-01 Delta_ec 0.1085374E-01 Delta_et -0.1353087E+00 Pxc 0.6456088E+01 Qxc -0.3497711E+01 3,-1 155 3 +1 -3.197578 -1.894465 -0.307613 Rho 0.8117650E-02 |GRAD(Rho)| 0.6312680E-14 GRAD(Rho)x 0.4800247E-14 GRAD(Rho)y -0.3940251E-14 GRAD(Rho)z 0.1132246E-14 Laplacian 0.3501184E-01 (-1/4)Del**2(Rho)) -0.8752961E-02 Diamond 0.7299943E-03 Metallicity 0.6453304E+00 Ellipticity -0.1164725E+01 Gb(Abramov) 0.6776732E-02 Vb(Abramov) -0.4800504E-02 Hb(Abramov) 0.1976228E-02 Ex_ueg -0.1204922E-02 Ec_ueg -0.2834504E-03 Delta_ex -0.1510100E-02 Delta_ec 0.3744149E-03 Delta_et -0.2619057E-02 Pxc 0.4250909E+01 Qxc -0.4033227E+01 3,+1 156 3 -1 2.241487 -5.712231 0.654750 Rho 0.1819734E+00 |GRAD(Rho)| 0.1218182E-10 GRAD(Rho)x 0.1077976E-10 GRAD(Rho)y 0.3334234E-11 GRAD(Rho)z 0.4590903E-11 Laplacian 0.7054230E+00 (-1/4)Del**2(Rho)) -0.1763557E+00 Diamond 0.1774819E+01 Metallicity 0.5708344E+01 Ellipticity 0.1423304E-01 Gb(Abramov) 0.2853537E+00 Vb(Abramov) -0.3943517E+00 Hb(Abramov) -0.1089980E+00 Ex_ueg -0.7616036E-01 Ec_ueg -0.1052081E-01 Delta_ex -0.7927231E-01 Delta_ec 0.1664792E-01 Delta_et -0.2257116E+00 Pxc 0.7239018E+01 Qxc -0.4761695E+01 3,-1 157 3 -1 4.590402 -0.303718 -0.513894 Rho 0.9608812E-01 |GRAD(Rho)| 0.1122771E-15 GRAD(Rho)x 0.4177566E-16 GRAD(Rho)y -0.1035955E-15 GRAD(Rho)z 0.1135363E-16 Laplacian 0.4050138E+00 (-1/4)Del**2(Rho)) -0.1012535E+00 Diamond 0.4805841E+00 Metallicity 0.3429726E+01 Ellipticity 0.9120147E-01 Gb(Abramov) 0.1253809E+00 Vb(Abramov) -0.1495084E+00 Hb(Abramov) -0.2412745E-01 Ex_ueg -0.3250459E-01 Ec_ueg -0.5088699E-02 Delta_ex -0.3911539E-01 Delta_ec 0.1141047E-01 Delta_et -0.1406290E+00 Pxc 0.6387602E+01 Qxc -0.3428024E+01 3,-1 158 3 -1 -8.320386 -4.378892 -0.252557 Rho 0.1206569E+00 |GRAD(Rho)| 0.2195331E-13 GRAD(Rho)x 0.1539144E-13 GRAD(Rho)y -0.1785071E-14 GRAD(Rho)z 0.1555200E-13 Laplacian 0.4778052E+00 (-1/4)Del**2(Rho)) -0.1194513E+00 Diamond 0.7500119E+00 Metallicity 0.4248957E+01 Ellipticity 0.1563801E-02 Gb(Abramov) 0.1642248E+00 Vb(Abramov) -0.2089982E+00 Hb(Abramov) -0.4477346E-01 Ex_ueg -0.4403396E-01 Ec_ueg -0.6592541E-02 Delta_ex -0.4873725E-01 Delta_ec 0.1288512E-01 Delta_et -0.1659527E+00 Pxc 0.6679360E+01 Qxc -0.3782444E+01 3,-1 159 3 -1 -0.460736 -2.957948 0.443474 Rho 0.1062515E+00 |GRAD(Rho)| 0.3484093E-14 GRAD(Rho)x -0.1859095E-14 GRAD(Rho)y -0.2571368E-14 GRAD(Rho)z -0.1439004E-14 Laplacian 0.4372208E+00 (-1/4)Del**2(Rho)) -0.1093052E+00 Diamond 0.5978369E+00 Metallicity 0.3756677E+01 Ellipticity 0.4502207E-01 Gb(Abramov) 0.1413075E+00 Vb(Abramov) -0.1733099E+00 Hb(Abramov) -0.3200233E-01 Ex_ueg -0.3716764E-01 Ec_ueg -0.5705275E-02 Delta_ex -0.4341879E-01 Delta_ec 0.1238922E-01 Delta_et -0.1562156E+00 Pxc 0.6514609E+01 Qxc -0.3504562E+01 3,-1 160 3 -1 3.243745 -0.024453 -0.105524 Rho 0.5543669E-01 |GRAD(Rho)| 0.2370518E-15 GRAD(Rho)x 0.1526828E-15 GRAD(Rho)y 0.1559303E-15 GRAD(Rho)z -0.9255953E-16 Laplacian 0.2261568E+00 (-1/4)Del**2(Rho)) -0.5653920E-01 Diamond 0.1418060E+00 Metallicity 0.2455834E+01 Ellipticity 0.6099587E-01 Gb(Abramov) 0.6083462E-01 Vb(Abramov) -0.6513003E-01 Hb(Abramov) -0.4295415E-02 Ex_ueg -0.1561163E-01 Ec_ueg -0.2717527E-02 Delta_ex -0.1947900E-01 Delta_ec 0.7396516E-02 Delta_et -0.8035800E-01 Pxc 0.5744792E+01 Qxc -0.2633538E+01 3,-1 161 3 -1 -6.600598 -1.321489 -0.604203 Rho 0.4714084E-01 |GRAD(Rho)| 0.1042474E-14 GRAD(Rho)x 0.7892415E-15 GRAD(Rho)y -0.6369823E-15 GRAD(Rho)z -0.2410461E-15 Laplacian 0.1899772E+00 (-1/4)Del**2(Rho)) -0.4749429E-01 Diamond 0.9018266E-01 Metallicity 0.2231383E+01 Ellipticity 0.6166276E-02 Gb(Abramov) 0.4932585E-01 Vb(Abramov) -0.5115740E-01 Hb(Abramov) -0.1831558E-02 Ex_ueg -0.1257713E-01 Ec_ueg -0.2257450E-02 Delta_ex -0.1546783E-01 Delta_ec 0.5770136E-02 Delta_et -0.5993761E-01 Pxc 0.5571387E+01 Qxc -0.2680671E+01 3,-1 162 3 +1 4.080258 -4.158989 1.068722 Rho 0.2408863E-01 |GRAD(Rho)| 0.1469445E-12 GRAD(Rho)x 0.1361288E-12 GRAD(Rho)y 0.5095108E-13 GRAD(Rho)z 0.2157810E-13 Laplacian 0.7824398E-01 (-1/4)Del**2(Rho)) -0.1956099E-01 Diamond 0.8114304E-02 Metallicity 0.1769494E+01 Ellipticity -0.3188657E+01 Gb(Abramov) 0.1880951E-01 Vb(Abramov) -0.1805802E-01 Hb(Abramov) 0.7514887E-03 Ex_ueg -0.5138083E-02 Ec_ueg -0.1042938E-02 Delta_ex -0.4634740E-02 Delta_ec 0.9998682E-03 Delta_et -0.8830451E-02 Pxc 0.4926546E+01 Qxc -0.4635351E+01 3,+1 163 3 -1 3.288194 -6.134037 1.742686 Rho 0.1400698E+00 |GRAD(Rho)| 0.3095383E-15 GRAD(Rho)x 0.9390546E-16 GRAD(Rho)y 0.2307453E-15 GRAD(Rho)z -0.1837181E-15 Laplacian 0.5469254E+00 (-1/4)Del**2(Rho)) -0.1367314E+00 Diamond 0.1020787E+01 Metallicity 0.4759843E+01 Ellipticity 0.2861670E-01 Gb(Abramov) 0.1996242E+00 Vb(Abramov) -0.2625171E+00 Hb(Abramov) -0.6289285E-01 Ex_ueg -0.5372517E-01 Ec_ueg -0.7810902E-02 Delta_ex -0.5775822E-01 Delta_ec 0.1411215E-01 Delta_et -0.1860045E+00 Pxc 0.6878229E+01 Qxc -0.4092801E+01 3,-1 164 3 +3 -3.310779 -2.111822 0.019200 Rho 0.7806420E-02 |GRAD(Rho)| 0.4433498E-14 GRAD(Rho)x -0.3734850E-14 GRAD(Rho)y -0.8123876E-15 GRAD(Rho)z 0.2246513E-14 Laplacian 0.3121160E-01 (-1/4)Del**2(Rho)) -0.7802901E-02 Diamond 0.4277260E-03 Metallicity 0.6782404E+00 Ellipticity -0.7784311E+00 Gb(Abramov) 0.6083974E-02 Vb(Abramov) -0.4365048E-02 Hb(Abramov) 0.1718927E-02 Ex_ueg -0.1143723E-02 Ec_ueg -0.2696143E-03 Delta_ex -0.1235466E-02 Delta_ec 0.1606166E-03 Delta_et -0.1303379E-02 Pxc 0.4242073E+01 Qxc -0.7692018E+01 3,+3 165 3 +3 -7.836828 -3.202828 0.646319 Rho 0.1115353E-01 |GRAD(Rho)| 0.1134536E-13 GRAD(Rho)x 0.7648100E-14 GRAD(Rho)y 0.4624816E-14 GRAD(Rho)z -0.6988199E-14 Laplacian 0.3784035E-01 (-1/4)Del**2(Rho)) -0.9460087E-02 Diamond 0.5743078E-03 Metallicity 0.1013939E+01 Ellipticity -0.6372295E+00 Gb(Abramov) 0.7905383E-02 Vb(Abramov) -0.6350680E-02 Hb(Abramov) 0.1554704E-02 Ex_ueg -0.1840496E-02 Ec_ueg -0.4206353E-03 Delta_ex -0.1570567E-02 Delta_ec 0.3765788E-04 Delta_et -0.6388700E-03 Pxc 0.4375514E+01 Qxc -0.4170619E+02 3,+3 166 3 -1 -7.632258 -2.485916 -3.875706 Rho 0.2004642E+00 |GRAD(Rho)| 0.2312283E-13 GRAD(Rho)x 0.4334911E-14 GRAD(Rho)y 0.1907793E-16 GRAD(Rho)z 0.2271284E-13 Laplacian 0.7268120E+00 (-1/4)Del**2(Rho)) -0.1817030E+00 Diamond 0.2066471E+01 Metallicity 0.6510069E+01 Ellipticity 0.2126117E-02 Gb(Abramov) 0.3182852E+00 Vb(Abramov) -0.4548674E+00 Hb(Abramov) -0.1365822E+00 Ex_ueg -0.8664976E-01 Ec_ueg -0.1174908E-01 Delta_ex -0.8379721E-01 Delta_ec 0.1685689E-01 Delta_et -0.2309636E+00 Pxc 0.7375023E+01 Qxc -0.4971096E+01 3,-1 167 3 -1 -8.331892 -2.247308 -2.481225 Rho 0.1279121E+00 |GRAD(Rho)| 0.1184781E-13 GRAD(Rho)x 0.8729833E-14 GRAD(Rho)y 0.7918437E-14 GRAD(Rho)z -0.1207869E-14 Laplacian 0.5041969E+00 (-1/4)Del**2(Rho)) -0.1260492E+00 Diamond 0.8483795E+00 Metallicity 0.4438121E+01 Ellipticity 0.8177810E-02 Gb(Abramov) 0.1772698E+00 Vb(Abramov) -0.2284903E+00 Hb(Abramov) -0.5122054E-01 Ex_ueg -0.4759931E-01 Ec_ueg -0.7044951E-02 Delta_ex -0.5214501E-01 Delta_ec 0.1339823E-01 Delta_et -0.1742671E+00 Pxc 0.6756514E+01 Qxc -0.3891934E+01 3,-1 168 3 -1 -2.914025 -0.922185 0.831141 Rho 0.7593510E-01 |GRAD(Rho)| 0.1168366E-13 GRAD(Rho)x -0.2340037E-14 GRAD(Rho)y 0.1110700E-13 GRAD(Rho)z 0.2768885E-14 Laplacian 0.2972883E+00 (-1/4)Del**2(Rho)) -0.7432207E-01 Diamond 0.2767771E+00 Metallicity 0.3156262E+01 Ellipticity 0.8264583E-01 Gb(Abramov) 0.8864470E-01 Vb(Abramov) -0.1029673E+00 Hb(Abramov) -0.1432263E-01 Ex_ueg -0.2374881E-01 Ec_ueg -0.3892064E-02 Delta_ex -0.2749515E-01 Delta_ec 0.9305436E-02 Delta_et -0.1093536E+00 Pxc 0.6101855E+01 Qxc -0.2954741E+01 3,-1 169 3 -1 5.164553 -5.535118 2.636761 Rho 0.3447766E-01 |GRAD(Rho)| 0.8271583E-16 GRAD(Rho)x 0.5302005E-16 GRAD(Rho)y -0.2966521E-16 GRAD(Rho)z 0.5613160E-16 Laplacian 0.1362199E+00 (-1/4)Del**2(Rho)) -0.3405497E-01 Diamond 0.4123139E-01 Metallicity 0.1847576E+01 Ellipticity 0.1130560E-01 Gb(Abramov) 0.3318984E-01 Vb(Abramov) -0.3232471E-01 Hb(Abramov) 0.8651303E-03 Ex_ueg -0.8287728E-02 Ec_ueg -0.1576800E-02 Delta_ex -0.1019364E-01 Delta_ec 0.4014937E-02 Delta_et -0.3831978E-01 Pxc 0.5256044E+01 Qxc -0.2538928E+01 3,-1 170 3 +1 4.798771 -5.112138 3.183431 Rho 0.2208976E-01 |GRAD(Rho)| 0.2110426E-16 GRAD(Rho)x 0.7030633E-17 GRAD(Rho)y 0.1465819E-16 GRAD(Rho)z 0.1345725E-16 Laplacian 0.7218200E-01 (-1/4)Del**2(Rho)) -0.1804550E-01 Diamond 0.5721787E-02 Metallicity 0.1660234E+01 Ellipticity -0.2034480E+01 Gb(Abramov) 0.1702363E-01 Vb(Abramov) -0.1600175E-01 Hb(Abramov) 0.1021874E-02 Ex_ueg -0.4577621E-02 Ec_ueg -0.9433350E-03 Delta_ex -0.4056938E-02 Delta_ec 0.7124446E-03 Delta_et -0.6260343E-02 Pxc 0.4852593E+01 Qxc -0.5694391E+01 3,+1 171 3 +3 -8.149231 -3.165721 -1.229472 Rho 0.1086381E-01 |GRAD(Rho)| 0.1880545E-16 GRAD(Rho)x -0.5923498E-17 GRAD(Rho)y 0.6361469E-17 GRAD(Rho)z -0.1667600E-16 Laplacian 0.3650481E-01 (-1/4)Del**2(Rho)) -0.9126202E-02 Diamond 0.5042925E-03 Metallicity 0.1005927E+01 Ellipticity -0.5970238E+00 Gb(Abramov) 0.7614183E-02 Vb(Abramov) -0.6102164E-02 Hb(Abramov) 0.1512019E-02 Ex_ueg -0.1777028E-02 Ec_ueg -0.4073756E-03 Delta_ex -0.1493332E-02 Delta_ec 0.1899602E-04 Delta_et -0.5060060E-03 Pxc 0.4362137E+01 Qxc -0.7861292E+02 3,+3 172 3 +1 -8.000702 -3.346459 0.866362 Rho 0.1140451E-01 |GRAD(Rho)| 0.6684103E-16 GRAD(Rho)x -0.6475082E-16 GRAD(Rho)y -0.1654776E-16 GRAD(Rho)z 0.1107680E-17 Laplacian 0.4208210E-01 (-1/4)Del**2(Rho)) -0.1052053E-01 Diamond 0.1077629E-02 Metallicity 0.9461862E+00 Ellipticity -0.1184386E+01 Gb(Abramov) 0.8672747E-02 Vb(Abramov) -0.6824968E-02 Hb(Abramov) 0.1847779E-02 Ex_ueg -0.1895922E-02 Ec_ueg -0.4321492E-03 Delta_ex -0.1887914E-02 Delta_ec 0.2729211E-03 Delta_et -0.2236629E-02 Pxc 0.4387192E+01 Qxc -0.6917433E+01 3,+1 173 3 +1 -5.765955 -2.669858 0.578432 Rho 0.2007420E-01 |GRAD(Rho)| 0.3457045E-16 GRAD(Rho)x 0.2745793E-16 GRAD(Rho)y -0.9428308E-19 GRAD(Rho)z 0.2100403E-16 Laplacian 0.7212781E-01 (-1/4)Del**2(Rho)) -0.1803195E-01 Diamond 0.5739735E-02 Metallicity 0.1416579E+01 Ellipticity -0.2074484E+01 Gb(Abramov) 0.1627858E-01 Vb(Abramov) -0.1452521E-01 Hb(Abramov) 0.1753369E-02 Ex_ueg -0.4029360E-02 Ec_ueg -0.8440582E-03 Delta_ex -0.4052516E-02 Delta_ec 0.9027477E-03 Delta_et -0.7664507E-02 Pxc 0.4773794E+01 Qxc -0.4489090E+01 3,+1 174 3 +1 -5.791879 -1.433580 -0.670122 Rho 0.2510778E-01 |GRAD(Rho)| 0.2973248E-16 GRAD(Rho)x -0.1858121E-16 GRAD(Rho)y -0.2294972E-16 GRAD(Rho)z 0.3474127E-17 Laplacian 0.8683991E-01 (-1/4)Del**2(Rho)) -0.2170998E-01 Diamond 0.7859265E-02 Metallicity 0.1708341E+01 Ellipticity -0.1866621E+01 Gb(Abramov) 0.2065466E-01 Vb(Abramov) -0.1959934E-01 Hb(Abramov) 0.1055320E-02 Ex_ueg -0.5429955E-02 Ec_ueg -0.1094142E-02 Delta_ex -0.5022122E-02 Delta_ec 0.7861157E-03 Delta_et -0.7103849E-02 Pxc 0.4962750E+01 Qxc -0.6388528E+01 3,+1 175 3 -1 -1.741180 -3.832494 0.890516 Rho 0.2072601E+00 |GRAD(Rho)| 0.3872151E-13 GRAD(Rho)x 0.3251262E-13 GRAD(Rho)y -0.1688607E-13 GRAD(Rho)z -0.1253576E-13 Laplacian 0.7182466E+00 (-1/4)Del**2(Rho)) -0.1795616E+00 Diamond 0.2161041E+01 Metallicity 0.6964110E+01 Ellipticity 0.7973920E-02 Gb(Abramov) 0.3281223E+00 Vb(Abramov) -0.4766829E+00 Hb(Abramov) -0.1485606E+00 Ex_ueg -0.9058839E-01 Ec_ueg -0.1220533E-01 Delta_ex -0.8374957E-01 Delta_ec 0.1691455E-01 Delta_et -0.2338222E+00 Pxc 0.7422035E+01 Qxc -0.4951334E+01 3,-1 176 3 -1 4.122236 -4.968797 1.497230 Rho 0.4902420E-01 |GRAD(Rho)| 0.1860298E-15 GRAD(Rho)x 0.1410589E-15 GRAD(Rho)y 0.7184533E-16 GRAD(Rho)z 0.9771245E-16 Laplacian 0.1933329E+00 (-1/4)Del**2(Rho)) -0.4833323E-01 Diamond 0.9558735E-01 Metallicity 0.2340587E+01 Ellipticity 0.1587649E-02 Gb(Abramov) 0.5107684E-01 Vb(Abramov) -0.5382046E-01 Hb(Abramov) -0.2743614E-02 Ex_ueg -0.1325152E-01 Ec_ueg -0.2361007E-02 Delta_ex -0.1584263E-01 Delta_ec 0.5775042E-02 Delta_et -0.6058726E-01 Pxc 0.5612657E+01 Qxc -0.2743293E+01 3,-1 177 3 +1 3.720842 -4.313551 2.272416 Rho 0.2062259E-01 |GRAD(Rho)| 0.2316331E-16 GRAD(Rho)x -0.2109565E-16 GRAD(Rho)y 0.9556212E-18 GRAD(Rho)z 0.9518372E-17 Laplacian 0.6575928E-01 (-1/4)Del**2(Rho)) -0.1643982E-01 Diamond 0.6254897E-02 Metallicity 0.1625155E+01 Ellipticity -0.6784762E+01 Gb(Abramov) 0.1541276E-01 Vb(Abramov) -0.1438569E-01 Hb(Abramov) 0.1027065E-02 Ex_ueg -0.4176790E-02 Ec_ueg -0.8709500E-03 Delta_ex -0.3837755E-02 Delta_ec 0.1029382E-02 Delta_et -0.8693497E-02 Pxc 0.4795671E+01 Qxc -0.3728211E+01 3,+1 178 3 +3 3.755145 -3.621576 1.793108 Rho 0.1337710E-01 |GRAD(Rho)| 0.2119378E-13 GRAD(Rho)x -0.1506202E-13 GRAD(Rho)y -0.9084175E-14 GRAD(Rho)z 0.1182327E-13 Laplacian 0.5201738E-01 (-1/4)Del**2(Rho)) -0.1300434E-01 Diamond 0.9653342E-03 Metallicity 0.9986221E+00 Ellipticity -0.7374051E-01 Gb(Abramov) 0.1083397E-01 Vb(Abramov) -0.8663590E-02 Hb(Abramov) 0.2170377E-02 Ex_ueg -0.2345313E-02 Ec_ueg -0.5235080E-03 Delta_ex -0.2267974E-02 Delta_ec 0.2608744E-04 Delta_et -0.6689190E-03 Pxc 0.4479995E+01 Qxc -0.8693741E+02 3,+3 179 3 -1 2.453974 -1.969683 4.291891 Rho 0.4410395E-01 |GRAD(Rho)| 0.1083168E-15 GRAD(Rho)x -0.6336974E-16 GRAD(Rho)y 0.6799913E-16 GRAD(Rho)z -0.5561414E-16 Laplacian 0.1208053E+00 (-1/4)Del**2(Rho)) -0.3020132E-01 Diamond 0.7495282E-01 Metallicity 0.3140435E+01 Ellipticity 0.4910557E-01 Gb(Abramov) 0.3594176E-01 Vb(Abramov) -0.4168220E-01 Hb(Abramov) -0.5740439E-02 Ex_ueg -0.1150858E-01 Ec_ueg -0.2091652E-02 Delta_ex -0.1082392E-01 Delta_ec 0.5723848E-02 Delta_et -0.5878339E-01 Pxc 0.5502148E+01 Qxc -0.1891021E+01 3,-1 180 3 +1 2.818150 -4.053268 1.330366 Rho 0.3278362E-01 |GRAD(Rho)| 0.2484235E-15 GRAD(Rho)x -0.1089686E-15 GRAD(Rho)y -0.1926716E-15 GRAD(Rho)z -0.1127729E-15 Laplacian 0.1144879E+00 (-1/4)Del**2(Rho)) -0.2862198E-01 Diamond 0.1422928E-01 Metallicity 0.2021227E+01 Ellipticity -0.1934627E+01 Gb(Abramov) 0.2872324E-01 Vb(Abramov) -0.2882450E-01 Hb(Abramov) -0.1012596E-03 Ex_ueg -0.7749274E-02 Ec_ueg -0.1488063E-02 Delta_ex -0.7090490E-02 Delta_ec 0.9262055E-03 Delta_et -0.8731566E-02 Pxc 0.5207623E+01 Qxc -0.7655418E+01 3,+1 181 3 -1 2.268170 -1.482102 0.932051 Rho 0.8679631E-01 |GRAD(Rho)| 0.7998078E-15 GRAD(Rho)x -0.4472893E-15 GRAD(Rho)y -0.6408855E-15 GRAD(Rho)z 0.1699724E-15 Laplacian 0.3417344E+00 (-1/4)Del**2(Rho)) -0.8543360E-01 Diamond 0.3734662E+00 Metallicity 0.3431046E+01 Ellipticity 0.1190190E+00 Gb(Abramov) 0.1058102E+00 Vb(Abramov) -0.1261867E+00 Hb(Abramov) -0.2037657E-01 Ex_ueg -0.2838268E-01 Ec_ueg -0.4532422E-02 Delta_ex -0.3254828E-01 Delta_ec 0.1038825E-01 Delta_et -0.1258524E+00 Pxc 0.6262144E+01 Qxc -0.3133183E+01 3,-1 182 3 -1 4.198356 -3.114514 0.411326 Rho 0.7470386E-01 |GRAD(Rho)| 0.2343424E-13 GRAD(Rho)x 0.2032435E-13 GRAD(Rho)y -0.7150535E-14 GRAD(Rho)z -0.9217053E-14 Laplacian 0.2921440E+00 (-1/4)Del**2(Rho)) -0.7303600E-01 Diamond 0.2527914E+00 Metallicity 0.3125513E+01 Ellipticity 0.3165654E-02 Gb(Abramov) 0.8673649E-01 Vb(Abramov) -0.1004370E+00 Hb(Abramov) -0.1370049E-01 Ex_ueg -0.2323677E-01 Ec_ueg -0.3820196E-02 Delta_ex -0.2657262E-01 Delta_ec 0.8549862E-02 Delta_et -0.9966707E-01 Pxc 0.6082612E+01 Qxc -0.3107959E+01 3,-1 183 3 +1 4.562167 -3.293121 2.252403 Rho 0.2586802E-01 |GRAD(Rho)| 0.4928252E-16 GRAD(Rho)x -0.2222434E-16 GRAD(Rho)y 0.3027280E-16 GRAD(Rho)z 0.3191242E-16 Laplacian 0.8393381E-01 (-1/4)Del**2(Rho)) -0.2098345E-01 Diamond 0.9405323E-02 Metallicity 0.1857583E+01 Ellipticity -0.3211806E+01 Gb(Abramov) 0.2048539E-01 Vb(Abramov) -0.1998732E-01 Hb(Abramov) 0.4980661E-03 Ex_ueg -0.5650272E-02 Ec_ueg -0.1132516E-02 Delta_ex -0.5050114E-02 Delta_ec 0.1035119E-02 Delta_et -0.9294287E-02 Pxc 0.4989131E+01 Qxc -0.4878775E+01 3,+1 184 3 -1 5.150948 -3.225034 3.987432 Rho 0.1440027E+00 |GRAD(Rho)| 0.2619610E-15 GRAD(Rho)x 0.2400966E-15 GRAD(Rho)y 0.1016711E-15 GRAD(Rho)z -0.2530257E-16 Laplacian 0.5596545E+00 (-1/4)Del**2(Rho)) -0.1399136E+00 Diamond 0.1079470E+01 Metallicity 0.4871294E+01 Ellipticity 0.3057364E-01 Gb(Abramov) 0.2068691E+00 Vb(Abramov) -0.2738247E+00 Hb(Abramov) -0.6695551E-01 Ex_ueg -0.5574586E-01 Ec_ueg -0.8060713E-02 Delta_ex -0.5949895E-01 Delta_ec 0.1433553E-01 Delta_et -0.1897098E+00 Pxc 0.6915748E+01 Qxc -0.4150453E+01 3,-1 185 3 -1 4.622922 -2.360423 1.462240 Rho 0.8814222E-01 |GRAD(Rho)| 0.3414335E-15 GRAD(Rho)x -0.7655484E-16 GRAD(Rho)y 0.9812707E-16 GRAD(Rho)z 0.3179423E-15 Laplacian 0.3431548E+00 (-1/4)Del**2(Rho)) -0.8578869E-01 Diamond 0.3671604E+00 Metallicity 0.3505606E+01 Ellipticity 0.7227736E-02 Gb(Abramov) 0.1073160E+00 Vb(Abramov) -0.1288433E+00 Hb(Abramov) -0.2152733E-01 Ex_ueg -0.2897101E-01 Ec_ueg -0.4612536E-02 Delta_ex -0.3249542E-01 Delta_ec 0.9859719E-02 Delta_et -0.1193586E+00 Pxc 0.6280930E+01 Qxc -0.3295775E+01 3,-1 186 3 +1 6.176382 -3.639130 1.988437 Rho 0.2344528E-01 |GRAD(Rho)| 0.5841096E-16 GRAD(Rho)x 0.3824987E-16 GRAD(Rho)y -0.1166325E-20 GRAD(Rho)z 0.4414507E-16 Laplacian 0.7739996E-01 (-1/4)Del**2(Rho)) -0.1934999E-01 Diamond 0.5953116E-02 Metallicity 0.1709876E+01 Ellipticity -0.1763732E+01 Gb(Abramov) 0.1841434E-01 Vb(Abramov) -0.1747869E-01 Hb(Abramov) 0.9356483E-03 Ex_ueg -0.4955934E-02 Ec_ueg -0.1010759E-02 Delta_ex -0.4340115E-02 Delta_ec 0.6134225E-03 Delta_et -0.5522993E-02 Pxc 0.4903180E+01 Qxc -0.7075246E+01 3,+1 187 3 -1 -6.748130 -3.539600 1.694696 Rho 0.1378558E+00 |GRAD(Rho)| 0.2150672E-15 GRAD(Rho)x -0.1359318E-15 GRAD(Rho)y -0.1324895E-15 GRAD(Rho)z -0.1011086E-15 Laplacian 0.5338318E+00 (-1/4)Del**2(Rho)) -0.1334580E+00 Diamond 0.9801171E+00 Metallicity 0.4748797E+01 Ellipticity 0.2853980E-01 Gb(Abramov) 0.1945994E+00 Vb(Abramov) -0.2557409E+00 Hb(Abramov) -0.6114147E-01 Ex_ueg -0.5259587E-01 Ec_ueg -0.7670700E-02 Delta_ex -0.5618697E-01 Delta_ec 0.1388066E-01 Delta_et -0.1826190E+00 Pxc 0.6856724E+01 Qxc -0.4047862E+01 3,-1 188 3 -1 -3.622783 -0.723661 2.154591 Rho 0.1173171E+00 |GRAD(Rho)| 0.1833282E-15 GRAD(Rho)x -0.8077306E-17 GRAD(Rho)y -0.1231349E-15 GRAD(Rho)z 0.1355795E-15 Laplacian 0.4583730E+00 (-1/4)Del**2(Rho)) -0.1145932E+00 Diamond 0.7132056E+00 Metallicity 0.4226650E+01 Ellipticity 0.1142601E+00 Gb(Abramov) 0.1571198E+00 Vb(Abramov) -0.1996463E+00 Hb(Abramov) -0.4252652E-01 Ex_ueg -0.4241637E-01 Ec_ueg -0.6385508E-02 Delta_ex -0.4668716E-01 Delta_ec 0.1287574E-01 Delta_et -0.1656929E+00 Pxc 0.6642599E+01 Qxc -0.3625977E+01 3,-1 189 3 -1 -3.678943 0.403024 1.156227 Rho 0.2095492E+00 |GRAD(Rho)| 0.6118118E-15 GRAD(Rho)x -0.5712390E-15 GRAD(Rho)y -0.9128982E-16 GRAD(Rho)z 0.1991629E-15 Laplacian 0.7853234E+00 (-1/4)Del**2(Rho)) -0.1963309E+00 Diamond 0.2345829E+01 Metallicity 0.6486962E+01 Ellipticity 0.5708720E-02 Gb(Abramov) 0.3431523E+00 Vb(Abramov) -0.4899738E+00 Hb(Abramov) -0.1468215E+00 Ex_ueg -0.9192488E-01 Ec_ueg -0.1235959E-01 Delta_ex -0.9151972E-01 Delta_ec 0.1788660E-01 Delta_et -0.2454709E+00 Pxc 0.7437534E+01 Qxc -0.5116663E+01 3,-1 190 3 +1 5.783436 -3.853838 2.984053 Rho 0.2206084E-01 |GRAD(Rho)| 0.2328823E-16 GRAD(Rho)x 0.1971455E-16 GRAD(Rho)y 0.6205605E-17 GRAD(Rho)z -0.1073166E-16 Laplacian 0.6953544E-01 (-1/4)Del**2(Rho)) -0.1738386E-01 Diamond 0.5316196E-02 Metallicity 0.1719664E+01 Ellipticity -0.2023924E+01 Gb(Abramov) 0.1657164E-01 Vb(Abramov) -0.1575942E-01 Hb(Abramov) 0.8122207E-03 Ex_ueg -0.4569630E-02 Ec_ueg -0.9419018E-03 Delta_ex -0.3882902E-02 Delta_ec 0.6437663E-03 Delta_et -0.5678440E-02 Pxc 0.4851493E+01 Qxc -0.6031540E+01 3,+1 191 3 -1 -6.332967 -2.679229 -2.915283 Rho 0.7797704E-01 |GRAD(Rho)| 0.4535216E-13 GRAD(Rho)x -0.8763965E-14 GRAD(Rho)y -0.4427391E-13 GRAD(Rho)z 0.4453311E-14 Laplacian 0.3168761E+00 (-1/4)Del**2(Rho)) -0.7921904E-01 Diamond 0.2908991E+00 Metallicity 0.3095054E+01 Ellipticity 0.4577574E-01 Gb(Abramov) 0.9367722E-01 Vb(Abramov) -0.1081354E+00 Hb(Abramov) -0.1445819E-01 Ex_ueg -0.2460410E-01 Ec_ueg -0.4011589E-02 Delta_ex -0.2915118E-01 Delta_ec 0.9280684E-02 Delta_et -0.1093124E+00 Pxc 0.6133255E+01 Qxc -0.3141059E+01 3,-1 192 3 -1 -6.439018 -2.581600 2.878757 Rho 0.2024312E+00 |GRAD(Rho)| 0.4459980E-15 GRAD(Rho)x 0.2318024E-15 GRAD(Rho)y 0.7031390E-16 GRAD(Rho)z -0.3744834E-15 Laplacian 0.7471696E+00 (-1/4)Del**2(Rho)) -0.1867924E+00 Diamond 0.2143337E+01 Metallicity 0.6436599E+01 Ellipticity 0.4891663E-02 Gb(Abramov) 0.3249129E+00 Vb(Abramov) -0.4630334E+00 Hb(Abramov) -0.1381205E+00 Ex_ueg -0.8778528E-01 Ec_ueg -0.1188088E-01 Delta_ex -0.8631917E-01 Delta_ec 0.1720979E-01 Delta_et -0.2357169E+00 Pxc 0.7388787E+01 Qxc -0.5015701E+01 3,-1 193 3 -1 -5.514490 -2.703052 1.569598 Rho 0.6735151E-01 |GRAD(Rho)| 0.1411493E-15 GRAD(Rho)x -0.1100804E-15 GRAD(Rho)y 0.3413839E-16 GRAD(Rho)z 0.8148626E-16 Laplacian 0.2774000E+00 (-1/4)Del**2(Rho)) -0.6934999E-01 Diamond 0.2200997E+00 Metallicity 0.2769612E+01 Ellipticity 0.6304470E-01 Gb(Abramov) 0.7824542E-01 Vb(Abramov) -0.8714086E-01 Hb(Abramov) -0.8895436E-02 Ex_ueg -0.2023865E-01 Ec_ueg -0.3394355E-02 Delta_ex -0.2490039E-01 Delta_ec 0.8725749E-02 Delta_et -0.9953916E-01 Pxc 0.5962442E+01 Qxc -0.2853668E+01 3,-1 194 3 -1 4.650065 -4.000882 2.844804 Rho 0.5539287E-01 |GRAD(Rho)| 0.2229448E-15 GRAD(Rho)x 0.4744147E-16 GRAD(Rho)y -0.1046594E-15 GRAD(Rho)z -0.1910500E-15 Laplacian 0.2199100E+00 (-1/4)Del**2(Rho)) -0.5497749E-01 Diamond 0.1273457E+00 Metallicity 0.2522269E+01 Ellipticity 0.3589105E-03 Gb(Abramov) 0.5976300E-01 Vb(Abramov) -0.6454850E-01 Hb(Abramov) -0.4785505E-02 Ex_ueg -0.1559517E-01 Ec_ueg -0.2715071E-02 Delta_ex -0.1854639E-01 Delta_ec 0.6494431E-02 Delta_et -0.7030309E-01 Pxc 0.5743929E+01 Qxc -0.2855737E+01 3,-1 195 3 -1 -9.204392 -3.023372 -0.079918 Rho 0.1191479E+00 |GRAD(Rho)| 0.5303673E-15 GRAD(Rho)x 0.1582698E-15 GRAD(Rho)y 0.5061869E-15 GRAD(Rho)z -0.3864376E-17 Laplacian 0.4740141E+00 (-1/4)Del**2(Rho)) -0.1185035E+00 Diamond 0.7299106E+00 Metallicity 0.4194042E+01 Ellipticity 0.8876521E-02 Gb(Abramov) 0.1618371E+00 Vb(Abramov) -0.2051708E+00 Hb(Abramov) -0.4333362E-01 Ex_ueg -0.4330125E-01 Ec_ueg -0.6498906E-02 Delta_ex -0.4816566E-01 Delta_ec 0.1274842E-01 Delta_et -0.1637127E+00 Pxc 0.6662852E+01 Qxc -0.3778167E+01 3,-1 196 3 -1 -9.201355 -2.010903 -1.128984 Rho 0.1132918E+00 |GRAD(Rho)| 0.2572843E-15 GRAD(Rho)x -0.2080669E-15 GRAD(Rho)y -0.3454582E-16 GRAD(Rho)z 0.1473431E-15 Laplacian 0.4534339E+00 (-1/4)Del**2(Rho)) -0.1133585E+00 Diamond 0.6585134E+00 Metallicity 0.4031157E+01 Ellipticity 0.1400087E-01 Gb(Abramov) 0.1517333E+00 Vb(Abramov) -0.1901081E+00 Hb(Abramov) -0.3837482E-01 Ex_ueg -0.4048706E-01 Ec_ueg -0.6137026E-02 Delta_ex -0.4554654E-01 Delta_ec 0.1237309E-01 Delta_et -0.1575162E+00 Pxc 0.6597178E+01 Qxc -0.3681095E+01 3,-1 197 3 -1 8.205628 -3.701630 3.247420 Rho 0.1982696E+00 |GRAD(Rho)| 0.2163187E-12 GRAD(Rho)x -0.1915355E-12 GRAD(Rho)y -0.6136091E-13 GRAD(Rho)z -0.7964164E-13 Laplacian 0.7244700E+00 (-1/4)Del**2(Rho)) -0.1811175E+00 Diamond 0.2032299E+01 Metallicity 0.6412387E+01 Ellipticity 0.2002658E-03 Gb(Abramov) 0.3143109E+00 Vb(Abramov) -0.4475044E+00 Hb(Abramov) -0.1331934E+00 Ex_ueg -0.8538731E-01 Ec_ueg -0.1160230E-01 Delta_ex -0.8328948E-01 Delta_ec 0.1684801E-01 Delta_et -0.2306232E+00 Pxc 0.7359514E+01 Qxc -0.4943578E+01 3,-1 198 3 -1 -5.067123 -2.931524 -2.064006 Rho 0.1649713E+00 |GRAD(Rho)| 0.9858892E-15 GRAD(Rho)x 0.2241588E-15 GRAD(Rho)y -0.8288726E-16 GRAD(Rho)z 0.9564832E-15 Laplacian 0.6313260E+00 (-1/4)Del**2(Rho)) -0.1578315E+00 Diamond 0.1428774E+01 Metallicity 0.5416353E+01 Ellipticity 0.4139938E-01 Gb(Abramov) 0.2476995E+00 Vb(Abramov) -0.3375676E+00 Hb(Abramov) -0.8986803E-01 Ex_ueg -0.6682358E-01 Ec_ueg -0.9408685E-02 Delta_ex -0.6936491E-01 Delta_ec 0.1555308E-01 Delta_et -0.2094062E+00 Pxc 0.7102329E+01 Qxc -0.4459883E+01 3,-1 199 3 -1 6.191132 -4.250562 2.410310 Rho 0.3591001E-01 |GRAD(Rho)| 0.6385510E-15 GRAD(Rho)x -0.5080732E-15 GRAD(Rho)y -0.1045101E-15 GRAD(Rho)z -0.3724065E-15 Laplacian 0.1390374E+00 (-1/4)Del**2(Rho)) -0.3475935E-01 Diamond 0.4393863E-01 Metallicity 0.1937198E+01 Ellipticity 0.1142910E-01 Gb(Abramov) 0.3439552E-01 Vb(Abramov) -0.3403170E-01 Hb(Abramov) 0.3638248E-03 Ex_ueg -0.8749953E-02 Ec_ueg -0.1652291E-02 Delta_ex -0.1047292E-01 Delta_ec 0.4032288E-02 Delta_et -0.3891231E-01 Pxc 0.5295648E+01 Qxc -0.2597264E+01 3,-1 200 3 -1 -1.695641 -2.321884 0.328781 Rho 0.6994102E-01 |GRAD(Rho)| 0.2220267E-15 GRAD(Rho)x 0.1875670E-16 GRAD(Rho)y -0.2195577E-15 GRAD(Rho)z -0.2717451E-16 Laplacian 0.2749545E+00 (-1/4)Del**2(Rho)) -0.6873863E-01 Diamond 0.2290968E+00 Metallicity 0.2975584E+01 Ellipticity 0.1138611E+00 Gb(Abramov) 0.7991535E-01 Vb(Abramov) -0.9109207E-01 Hb(Abramov) -0.1117672E-01 Ex_ueg -0.2128275E-01 Ec_ueg -0.3543672E-02 Delta_ex -0.2490449E-01 Delta_ec 0.8620076E-02 Delta_et -0.9925599E-01 Pxc 0.6005845E+01 Qxc -0.2889127E+01 3,-1 201 3 -1 4.939851 1.004177 -1.125345 Rho 0.1076963E+00 |GRAD(Rho)| 0.3946142E-13 GRAD(Rho)x 0.1665535E-13 GRAD(Rho)y -0.1446989E-13 GRAD(Rho)z -0.3271735E-13 Laplacian 0.4234472E+00 (-1/4)Del**2(Rho)) -0.1058618E+00 Diamond 0.5914909E+00 Metallicity 0.3967178E+01 Ellipticity 0.9086657E-01 Gb(Abramov) 0.1405699E+00 Vb(Abramov) -0.1752781E+00 Hb(Abramov) -0.3470816E-01 Ex_ueg -0.3784303E-01 Ec_ueg -0.5793577E-02 Delta_ex -0.4222997E-01 Delta_ec 0.1204561E-01 Delta_et -0.1523943E+00 Pxc 0.6531894E+01 Qxc -0.3505839E+01 3,-1 202 3 -1 3.165654 -4.417494 0.600990 Rho 0.8473033E-01 |GRAD(Rho)| 0.7111346E-14 GRAD(Rho)x 0.3106256E-14 GRAD(Rho)y -0.6176144E-14 GRAD(Rho)z -0.1666632E-14 Laplacian 0.3273841E+00 (-1/4)Del**2(Rho)) -0.8184604E-01 Diamond 0.3327380E+00 Metallicity 0.3440490E+01 Ellipticity 0.1565630E-01 Gb(Abramov) 0.1014958E+00 Vb(Abramov) -0.1211455E+00 Hb(Abramov) -0.1964974E-01 Ex_ueg -0.2748550E-01 Ec_ueg -0.4409764E-02 Delta_ex -0.3069820E-01 Delta_ec 0.9439044E-02 Delta_et -0.1132547E+00 Pxc 0.6232872E+01 Qxc -0.3252257E+01 3,-1 203 3 -1 6.649135 -3.477385 3.554959 Rho 0.9658727E-01 |GRAD(Rho)| 0.3525068E-14 GRAD(Rho)x -0.3351730E-14 GRAD(Rho)y 0.4824767E-15 GRAD(Rho)z 0.9794005E-15 Laplacian 0.3852067E+00 (-1/4)Del**2(Rho)) -0.9630169E-01 Diamond 0.4606910E+00 Metallicity 0.3637356E+01 Ellipticity 0.3106929E-01 Gb(Abramov) 0.1225817E+00 Vb(Abramov) -0.1488617E+00 Hb(Abramov) -0.2628002E-01 Ex_ueg -0.3272992E-01 Ec_ueg -0.5118789E-02 Delta_ex -0.3726042E-01 Delta_ec 0.1086393E-01 Delta_et -0.1340614E+00 Pxc 0.6394075E+01 Qxc -0.3429737E+01 3,-1 204 3 -1 7.087286 -3.157658 2.222466 Rho 0.9438813E-01 |GRAD(Rho)| 0.1123561E-14 GRAD(Rho)x 0.9950604E-15 GRAD(Rho)y -0.2569220E-15 GRAD(Rho)z 0.4541316E-15 Laplacian 0.3781996E+00 (-1/4)Del**2(Rho)) -0.9454989E-01 Diamond 0.4407928E+00 Metallicity 0.3565232E+01 Ellipticity 0.2995874E-01 Gb(Abramov) 0.1192153E+00 Vb(Abramov) -0.1438807E+00 Hb(Abramov) -0.2466542E-01 Ex_ueg -0.3174010E-01 Ec_ueg -0.4986378E-02 Delta_ex -0.3640474E-01 Delta_ec 0.1074903E-01 Delta_et -0.1320519E+00 Pxc 0.6365362E+01 Qxc -0.3386792E+01 3,-1 205 3 -1 -6.228121 -1.524387 1.654573 Rho 0.7299863E-01 |GRAD(Rho)| 0.2139379E-13 GRAD(Rho)x -0.1658950E-13 GRAD(Rho)y 0.1267851E-13 GRAD(Rho)z 0.4662415E-14 Laplacian 0.2870765E+00 (-1/4)Del**2(Rho)) -0.7176911E-01 Diamond 0.2427590E+00 Metallicity 0.3060601E+01 Ellipticity 0.3038296E-01 Gb(Abramov) 0.8445551E-01 Vb(Abramov) -0.9714192E-01 Hb(Abramov) -0.1268640E-01 Ex_ueg -0.2253225E-01 Ec_ueg -0.3720918E-02 Delta_ex -0.2600857E-01 Delta_ec 0.8497533E-02 Delta_et -0.9857167E-01 Pxc 0.6055563E+01 Qxc -0.3060720E+01 3,-1 206 3 -1 -0.852997 -4.122788 -0.367526 Rho 0.1402732E+00 |GRAD(Rho)| 0.2874616E-15 GRAD(Rho)x -0.1415426E-15 GRAD(Rho)y -0.1560438E-15 GRAD(Rho)z 0.1955765E-15 Laplacian 0.5404406E+00 (-1/4)Del**2(Rho)) -0.1351102E+00 Diamond 0.1030273E+01 Metallicity 0.4828621E+01 Ellipticity 0.9681985E-01 Gb(Abramov) 0.1988061E+00 Vb(Abramov) -0.2625020E+00 Hb(Abramov) -0.6369591E-01 Ex_ueg -0.5382922E-01 Ec_ueg -0.7823797E-02 Delta_ex -0.5730957E-01 Delta_ec 0.1432555E-01 Delta_et -0.1896646E+00 Pxc 0.6880191E+01 Qxc -0.4000514E+01 3,-1 207 3 +1 3.323251 -3.095165 2.648459 Rho 0.3003447E-01 |GRAD(Rho)| 0.5384514E-15 GRAD(Rho)x 0.2042666E-15 GRAD(Rho)y -0.1917144E-15 GRAD(Rho)z 0.4598376E-15 Laplacian 0.9576685E-01 (-1/4)Del**2(Rho)) -0.2394171E-01 Diamond 0.1029077E-01 Metallicity 0.2088164E+01 Ellipticity -0.2001214E+01 Gb(Abramov) 0.2429351E-01 Vb(Abramov) -0.2464531E-01 Hb(Abramov) -0.3517998E-03 Ex_ueg -0.6895171E-02 Ec_ueg -0.1345385E-02 Delta_ex -0.5760814E-02 Delta_ec 0.7389959E-03 Delta_et -0.6896248E-02 Pxc 0.5125053E+01 Qxc -0.7795461E+01 3,+1 208 3 -1 3.659736 -2.932738 4.437116 Rho 0.1843496E+00 |GRAD(Rho)| 0.1725908E-12 GRAD(Rho)x 0.9988126E-13 GRAD(Rho)y -0.9342841E-13 GRAD(Rho)z -0.1052732E-12 Laplacian 0.6967149E+00 (-1/4)Del**2(Rho)) -0.1741787E+00 Diamond 0.1781867E+01 Metallicity 0.5906022E+01 Ellipticity 0.1360774E-01 Gb(Abramov) 0.2875697E+00 Vb(Abramov) -0.4009607E+00 Hb(Abramov) -0.1133910E+00 Ex_ueg -0.7748923E-01 Ec_ueg -0.1067757E-01 Delta_ex -0.7856225E-01 Delta_ec 0.1640467E-01 Delta_et -0.2227468E+00 Pxc 0.7257196E+01 Qxc -0.4789017E+01 3,-1 209 3 -1 4.110910 -2.703769 2.983129 Rho 0.8591153E-01 |GRAD(Rho)| 0.1513695E-12 GRAD(Rho)x -0.9594725E-14 GRAD(Rho)y 0.1009710E-12 GRAD(Rho)z -0.1123633E-12 Laplacian 0.3364169E+00 (-1/4)Del**2(Rho)) -0.8410422E-01 Diamond 0.3455241E+00 Metallicity 0.3426266E+01 Ellipticity 0.4369013E-02 Gb(Abramov) 0.1040967E+00 Vb(Abramov) -0.1240892E+00 Hb(Abramov) -0.1999250E-01 Ex_ueg -0.2799757E-01 Ec_ueg -0.4479845E-02 Delta_ex -0.3159946E-01 Delta_ec 0.9590084E-02 Delta_et -0.1153365E+00 Pxc 0.6249673E+01 Qxc -0.3295013E+01 3,-1 210 3 -1 6.090251 -2.567594 1.151463 Rho 0.1478733E+00 |GRAD(Rho)| 0.7850985E-14 GRAD(Rho)x 0.3679511E-15 GRAD(Rho)y 0.4821176E-14 GRAD(Rho)z 0.6185373E-14 Laplacian 0.5724697E+00 (-1/4)Del**2(Rho)) -0.1431174E+00 Diamond 0.1142520E+01 Metallicity 0.4977490E+01 Ellipticity 0.3632891E-01 Gb(Abramov) 0.2141392E+00 Vb(Abramov) -0.2851610E+00 Hb(Abramov) -0.7102177E-01 Ex_ueg -0.5775259E-01 Ec_ueg -0.8307515E-02 Delta_ex -0.6128434E-01 Delta_ec 0.1461513E-01 Delta_et -0.1942543E+00 Pxc 0.6951849E+01 Qxc -0.4193212E+01 3,-1 211 3 -1 -7.608468 -5.785882 -0.416137 Rho 0.1996321E+00 |GRAD(Rho)| 0.8453447E-15 GRAD(Rho)x -0.8573329E-16 GRAD(Rho)y -0.2951198E-15 GRAD(Rho)z 0.7875035E-15 Laplacian 0.7301397E+00 (-1/4)Del**2(Rho)) -0.1825349E+00 Diamond 0.2063613E+01 Metallicity 0.6435634E+01 Ellipticity 0.6616397E-03 Gb(Abramov) 0.3174779E+00 Vb(Abramov) -0.4524209E+00 Hb(Abramov) -0.1349430E+00 Ex_ueg -0.8617058E-01 Ec_ueg -0.1169340E-01 Delta_ex -0.8407800E-01 Delta_ec 0.1692954E-01 Delta_et -0.2318006E+00 Pxc 0.7369162E+01 Qxc -0.4966348E+01 3,-1 212 3 -1 1.879046 -0.555893 -0.100227 Rho 0.3393782E+00 |GRAD(Rho)| 0.1014254E-13 GRAD(Rho)x 0.9243276E-14 GRAD(Rho)y -0.3527721E-14 GRAD(Rho)z 0.2233429E-14 Laplacian -0.1705436E+01 (-1/4)Del**2(Rho)) 0.4263591E+00 Diamond 0.6353778E+01 Metallicity -0.6671923E+01 Ellipticity 0.8889113E-02 Gb(Abramov) 0.1898664E+00 Vb(Abramov) -0.8060919E+00 Hb(Abramov) -0.6162255E+00 Ex_ueg -0.1748358E+00 Ec_ueg -0.2158061E-01 Delta_ex 0.1739315E+00 Delta_ec 0.5925801E-01 Delta_et -0.1441872E+01 Pxc 0.8101525E+01 Qxc 0.2935156E+01 3,-1 213 3 -1 4.049461 1.290451 0.089261 Rho 0.1945977E+00 |GRAD(Rho)| 0.6587826E-15 GRAD(Rho)x 0.2320870E-16 GRAD(Rho)y 0.5225854E-15 GRAD(Rho)z 0.4004501E-15 Laplacian 0.6994376E+00 (-1/4)Del**2(Rho)) -0.1748594E+00 Diamond 0.1925192E+01 Metallicity 0.6438139E+01 Ellipticity 0.2005165E-01 Gb(Abramov) 0.3042011E+00 Vb(Abramov) -0.4335428E+00 Hb(Abramov) -0.1293417E+00 Ex_ueg -0.8328536E-01 Ec_ueg -0.1135731E-01 Delta_ex -0.8007616E-01 Delta_ec 0.1643337E-01 Delta_et -0.2248865E+00 Pxc 0.7333195E+01 Qxc -0.4872779E+01 3,-1 214 3 -1 -6.666129 -0.353456 -1.682903 Rho 0.1377293E+00 |GRAD(Rho)| 0.4105752E-15 GRAD(Rho)x -0.2370337E-15 GRAD(Rho)y -0.9260442E-16 GRAD(Rho)z -0.3221978E-15 Laplacian 0.5375276E+00 (-1/4)Del**2(Rho)) -0.1343819E+00 Diamond 0.9845693E+00 Metallicity 0.4708940E+01 Ellipticity 0.3052142E-01 Gb(Abramov) 0.1950540E+00 Vb(Abramov) -0.2557261E+00 Hb(Abramov) -0.6067209E-01 Ex_ueg -0.5253157E-01 Ec_ueg -0.7662704E-02 Delta_ex -0.5654945E-01 Delta_ec 0.1395503E-01 Delta_et -0.1835211E+00 Pxc 0.6855487E+01 Qxc -0.4052264E+01 3,-1 215 3 -1 -6.193480 -0.326411 0.378242 Rho 0.6607042E-01 |GRAD(Rho)| 0.1266971E-14 GRAD(Rho)x 0.6169974E-15 GRAD(Rho)y -0.2065532E-15 GRAD(Rho)z 0.1087136E-14 Laplacian 0.2579864E+00 (-1/4)Del**2(Rho)) -0.6449661E-01 Diamond 0.1905413E+00 Metallicity 0.2884218E+01 Ellipticity 0.1583199E-01 Gb(Abramov) 0.7400145E-01 Vb(Abramov) -0.8350629E-01 Hb(Abramov) -0.9504841E-02 Ex_ueg -0.1972700E-01 Ec_ueg -0.3320763E-02 Delta_ex -0.2278092E-01 Delta_ec 0.7644793E-02 Delta_et -0.8653503E-01 Pxc 0.5940504E+01 Qxc -0.2979926E+01 3,-1 216 3 -1 -6.320874 0.840932 -0.742284 Rho 0.2001752E+00 |GRAD(Rho)| 0.1556698E-13 GRAD(Rho)x 0.2720345E-14 GRAD(Rho)y 0.1517102E-13 GRAD(Rho)z 0.2184173E-14 Laplacian 0.7468407E+00 (-1/4)Del**2(Rho)) -0.1867102E+00 Diamond 0.2106139E+01 Metallicity 0.6320269E+01 Ellipticity 0.6147834E-02 Gb(Abramov) 0.3211499E+00 Vb(Abramov) -0.4555896E+00 Hb(Abramov) -0.1344397E+00 Ex_ueg -0.8648326E-01 Ec_ueg -0.1172974E-01 Delta_ex -0.8598245E-01 Delta_ec 0.1716368E-01 Delta_et -0.2345653E+00 Pxc 0.7372990E+01 Qxc -0.5009558E+01 3,-1 217 3 -1 -4.625403 -2.923636 0.062250 Rho 0.5385784E-01 |GRAD(Rho)| 0.1222280E-15 GRAD(Rho)x -0.3579794E-16 GRAD(Rho)y -0.1383946E-17 GRAD(Rho)z 0.1168601E-15 Laplacian 0.2149184E+00 (-1/4)Del**2(Rho)) -0.5372959E-01 Diamond 0.1273524E+00 Metallicity 0.2462755E+01 Ellipticity 0.6552110E-01 Gb(Abramov) 0.5787353E-01 Vb(Abramov) -0.6201747E-01 Hb(Abramov) -0.4143940E-02 Ex_ueg -0.1502163E-01 Ec_ueg -0.2629205E-02 Delta_ex -0.1829179E-01 Delta_ec 0.6875460E-02 Delta_et -0.7407923E-01 Pxc 0.5713372E+01 Qxc -0.2660447E+01 3,-1 218 3 -1 -1.437767 -1.003717 0.886968 Rho 0.3385452E+00 |GRAD(Rho)| 0.6821054E-15 GRAD(Rho)x -0.6169102E-15 GRAD(Rho)y -0.1484209E-15 GRAD(Rho)z 0.2503215E-15 Laplacian -0.1706649E+01 (-1/4)Del**2(Rho)) 0.4266623E+00 Diamond 0.6350899E+01 Metallicity -0.6639928E+01 Ellipticity 0.8884430E-02 Gb(Abramov) 0.1877263E+00 Vb(Abramov) -0.8021149E+00 Hb(Abramov) -0.6143886E+00 Ex_ueg -0.1742639E+00 Ec_ueg -0.2151846E-01 Delta_ex 0.1738501E+00 Delta_ec 0.5936723E-01 Delta_et -0.1442824E+01 Pxc 0.8098344E+01 Qxc 0.2928386E+01 3,-1 219 3 -1 5.640324 -3.397087 -0.020711 Rho 0.1457193E+00 |GRAD(Rho)| 0.5968101E-15 GRAD(Rho)x -0.5801430E-15 GRAD(Rho)y 0.7109656E-16 GRAD(Rho)z -0.1206717E-15 Laplacian 0.5709831E+00 (-1/4)Del**2(Rho)) -0.1427458E+00 Diamond 0.1115794E+01 Metallicity 0.4869883E+01 Ellipticity 0.3474588E-01 Gb(Abramov) 0.2110230E+00 Vb(Abramov) -0.2793003E+00 Hb(Abramov) -0.6827728E-01 Ex_ueg -0.5663366E-01 Ec_ueg -0.8170055E-02 Delta_ex -0.6086600E-01 Delta_ec 0.1455884E-01 Delta_et -0.1929423E+00 Pxc 0.6931858E+01 Qxc -0.4180691E+01 3,-1 220 3 -1 -7.526879 -3.474757 -2.638175 Rho 0.1227388E+00 |GRAD(Rho)| 0.3884623E-14 GRAD(Rho)x -0.4638031E-15 GRAD(Rho)y 0.1357475E-14 GRAD(Rho)z -0.3610048E-14 Laplacian 0.4835785E+00 (-1/4)Del**2(Rho)) -0.1208946E+00 Diamond 0.7699316E+00 Metallicity 0.4319658E+01 Ellipticity 0.3656196E-02 Gb(Abramov) 0.1676336E+00 Vb(Abramov) -0.2143727E+00 Hb(Abramov) -0.4673903E-01 Ex_ueg -0.4504994E-01 Ec_ueg -0.6721995E-02 Delta_ex -0.4946379E-01 Delta_ec 0.1287454E-01 Delta_et -0.1661170E+00 Pxc 0.6701871E+01 Qxc -0.3841986E+01 3,-1 221 3 -1 4.216469 -4.395477 4.175386 Rho 0.1378574E+00 |GRAD(Rho)| 0.3636002E-15 GRAD(Rho)x 0.2964022E-16 GRAD(Rho)y -0.3374037E-15 GRAD(Rho)z 0.1322320E-15 Laplacian 0.5419203E+00 (-1/4)Del**2(Rho)) -0.1354801E+00 Diamond 0.9895724E+00 Metallicity 0.4678013E+01 Ellipticity 0.2881566E-01 Gb(Abramov) 0.1959496E+00 Vb(Abramov) -0.2564192E+00 Hb(Abramov) -0.6046956E-01 Ex_ueg -0.5259672E-01 Ec_ueg -0.7670806E-02 Delta_ex -0.5697816E-01 Delta_ec 0.1398326E-01 Delta_et -0.1837507E+00 Pxc 0.6856740E+01 Qxc -0.4074742E+01 3,-1 222 3 -1 -3.054765 -0.365722 3.379255 Rho 0.3384971E+00 |GRAD(Rho)| 0.5811967E-15 GRAD(Rho)x -0.4067943E-15 GRAD(Rho)y 0.1673644E-15 GRAD(Rho)z 0.3798646E-15 Laplacian -0.1680119E+01 (-1/4)Del**2(Rho)) 0.4200298E+00 Diamond 0.6201989E+01 Metallicity -0.6743179E+01 Ellipticity 0.1581077E-02 Gb(Abramov) 0.1920361E+00 Vb(Abramov) -0.8041020E+00 Hb(Abramov) -0.6120659E+00 Ex_ueg -0.1742308E+00 Ec_ueg -0.2151487E-01 Delta_ex 0.1713034E+00 Delta_ec 0.5814918E-01 Delta_et -0.1414265E+01 Pxc 0.8098160E+01 Qxc 0.2945930E+01 3,-1 223 3 -1 3.241846 -3.752356 3.166362 Rho 0.6040614E-01 |GRAD(Rho)| 0.3395076E-16 GRAD(Rho)x -0.1724728E-16 GRAD(Rho)y -0.1977907E-16 GRAD(Rho)z 0.2154005E-16 Laplacian 0.2388779E+00 (-1/4)Del**2(Rho)) -0.5971948E-01 Diamond 0.1575424E+00 Metallicity 0.2682701E+01 Ellipticity 0.1607016E-01 Gb(Abramov) 0.6651457E-01 Vb(Abramov) -0.7330967E-01 Hb(Abramov) -0.6795092E-02 Ex_ueg -0.1750491E-01 Ec_ueg -0.2997683E-02 Delta_ex -0.2066013E-01 Delta_ec 0.7164598E-02 Delta_et -0.7933770E-01 Pxc 0.5839479E+01 Qxc -0.2883641E+01 3,-1 224 3 -1 -4.013897 -3.288928 1.482605 Rho 0.3252688E+00 |GRAD(Rho)| 0.8415835E-15 GRAD(Rho)x -0.6386819E-15 GRAD(Rho)y 0.4861266E-15 GRAD(Rho)z -0.2530397E-15 Laplacian -0.1664677E+01 (-1/4)Del**2(Rho)) 0.4161694E+00 Diamond 0.5954479E+01 Metallicity -0.6368255E+01 Ellipticity 0.1636811E-02 Gb(Abramov) 0.1642659E+00 Vb(Abramov) -0.7447011E+00 Hb(Abramov) -0.5804352E+00 Ex_ueg -0.1652120E+00 Ec_ueg -0.2053324E-01 Delta_ex 0.1667628E+00 Delta_ec 0.5821583E-01 Delta_et -0.1390713E+01 Pxc 0.8046078E+01 Qxc 0.2864561E+01 3,-1 225 3 -1 1.934209 -1.632857 3.797926 Rho 0.3074436E+00 |GRAD(Rho)| 0.8191064E-15 GRAD(Rho)x -0.4297873E-15 GRAD(Rho)y 0.4732483E-15 GRAD(Rho)z -0.5121076E-15 Laplacian -0.1513018E+01 (-1/4)Del**2(Rho)) 0.3782545E+00 Diamond 0.5113332E+01 Metallicity -0.6378398E+01 Ellipticity 0.2396283E-02 Gb(Abramov) 0.1499399E+00 Vb(Abramov) -0.6781343E+00 Hb(Abramov) -0.5281944E+00 Ex_ueg -0.1532518E+00 Ec_ueg -0.1922603E-01 Delta_ex 0.1480353E+00 Delta_ec 0.5329677E-01 Delta_et -0.1242684E+01 Pxc 0.7971059E+01 Qxc 0.2777566E+01 3,-1 226 3 -1 5.869619 1.022671 -2.200883 Rho 0.3380694E+00 |GRAD(Rho)| 0.9794993E-14 GRAD(Rho)x 0.1418658E-14 GRAD(Rho)y 0.7174022E-14 GRAD(Rho)z 0.6516342E-14 Laplacian -0.1634997E+01 (-1/4)Del**2(Rho)) 0.4087492E+00 Diamond 0.6157610E+01 Metallicity -0.6914691E+01 Ellipticity 0.8802645E-03 Gb(Abramov) 0.1985629E+00 Vb(Abramov) -0.8058749E+00 Hb(Abramov) -0.6073120E+00 Ex_ueg -0.1739374E+00 Ec_ueg -0.2148297E-01 Delta_ex 0.1661778E+00 Delta_ec 0.5737745E-01 Delta_et -0.1391748E+01 Pxc 0.8096522E+01 Qxc 0.2896221E+01 3,-1 227 3 -1 0.185811 -5.153581 -0.478271 Rho 0.2730321E+00 |GRAD(Rho)| 0.8847895E-13 GRAD(Rho)x -0.3221796E-13 GRAD(Rho)y 0.7586665E-13 GRAD(Rho)z -0.3216800E-13 Laplacian -0.1222814E+01 (-1/4)Del**2(Rho)) 0.3057035E+00 Diamond 0.3935722E+01 Metallicity -0.6475534E+01 Ellipticity 0.3357722E-02 Gb(Abramov) 0.1261299E+00 Vb(Abramov) -0.5579632E+00 Hb(Abramov) -0.4318334E+00 Ex_ueg -0.1308187E+00 Ec_ueg -0.1675239E-01 Delta_ex 0.1125574E+00 Delta_ec 0.4595249E-01 Delta_et -0.1011078E+01 Pxc 0.7808960E+01 Qxc 0.2449431E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 189 118 106 123 73 208 179 227 206 122 137 225 101 132 131 221 105 156 202 163 99 176 184 223 209 194 100 98 181 129 130 203 154 84 126 188 168 192 151 193 205 92 187 124 82 211 161 215 214 216 219 108 121 120 222 210 182 145 185 146 103 169 97 141 217 140 198 204 144 147 135 134 77 152 153 158 78 201 88 160 157 213 91 195 74 196 212 133 117 175 159 200 220 150 191 149 167 166 197 199 226 224 116 218 1 2 2 3 3 4 4 5 5 6 6 7 7 8 9 10 10 11 11 11 11 11 12 12 12 12 14 14 14 14 14 15 16 16 16 16 16 17 17 17 17 17 17 18 18 19 20 20 20 20 21 21 22 22 23 24 24 24 24 24 25 25 26 26 26 26 26 28 29 30 31 31 32 33 33 33 33 34 34 34 34 34 35 35 35 35 36 37 38 38 38 38 39 39 39 39 39 39 42 42 47 48 55 67 16 11 37 20 35 12 13 29 38 25 42 13 14 37 25 12 25 41 43 46 52 71 15 52 69 71 43 52 59 61 69 42 18 48 49 60 70 27 44 48 49 58 63 20 26 33 44 49 57 64 24 37 25 37 60 28 43 62 69 71 46 71 32 44 48 51 56 42 41 35 37 42 33 40 44 54 63 47 50 59 62 68 44 54 58 65 59 71 51 55 61 70 40 44 56 57 65 66 45 71 53 72 72 70 1.769987 1.920079 2.067235 1.935283 2.041380 1.821237 1.727677 1.042067 1.929200 2.004783 1.978932 1.008013 1.970718 1.792752 1.791964 1.935030 2.055013 1.821472 2.142440 1.928623 2.214812 2.384278 1.917668 2.279545 2.135537 2.331575 2.076664 1.978565 2.128495 1.915117 2.115756 2.078420 2.070681 2.367927 2.009813 2.005336 2.181011 1.783740 2.447679 2.225139 2.198734 1.923521 1.935210 2.180072 2.153585 1.789666 2.399053 2.243627 1.934940 1.787930 1.913790 2.077382 2.001900 1.983235 0.977383 1.908331 2.194522 1.891300 2.127888 2.234028 2.055709 2.537914 1.901224 2.083943 2.332587 1.966053 1.865123 2.086413 1.501105 1.786396 1.995553 1.990899 2.094343 2.007834 2.495916 1.987488 2.053937 2.035116 1.812706 2.302291 2.067368 1.800871 2.687122 1.992421 2.050428 2.011859 0.977636 2.524676 1.957479 1.777470 2.029739 2.217861 1.981980 2.561820 2.161253 2.053958 1.963470 1.788298 1.792299 2.529384 0.976628 0.988700 1.963977 0.978280 1.770001 1.920320 2.067634 1.935583 2.041792 1.821299 1.733893 1.042119 1.930167 2.005117 1.979244 1.008047 1.971752 1.792764 1.791965 1.935317 2.055389 1.821606 2.142860 1.928938 2.215259 2.384337 1.917846 2.280062 2.135989 2.331736 2.076982 1.978691 2.129014 1.915254 2.115825 2.078837 2.070916 2.368953 2.009965 2.006137 2.181673 1.783765 2.447746 2.226542 2.199301 1.923789 1.935482 2.180499 2.154108 1.789670 2.399149 2.244045 1.935187 1.787981 1.914094 2.077748 2.002259 1.983559 0.977503 1.908572 2.194973 1.891568 2.128334 2.234106 2.056089 2.537934 1.901484 2.084113 2.333494 1.966415 1.865260 2.086787 1.501352 1.786397 1.995901 1.991232 2.094704 2.008179 2.495993 1.987809 2.054371 2.036222 1.812752 2.302548 2.067465 1.800959 2.687134 1.992832 2.050828 2.012211 0.977693 2.524695 1.957745 1.777503 2.030010 2.218411 1.982356 2.562016 2.161698 2.054405 1.963750 1.788305 1.792304 2.529410 0.976713 0.988764 1.984943 0.978344 23 23 25 24 24 23 23 16 24 23 23 16 23 23 20 23 25 22 25 23 25 27 23 27 25 27 25 23 25 23 25 25 27 27 23 23 27 21 27 25 25 23 23 25 27 21 27 25 23 24 23 25 23 23 16 23 25 23 25 25 25 28 23 24 27 25 23 25 20 21 23 23 25 23 29 23 25 25 23 27 25 23 31 25 25 23 17 29 23 21 25 26 23 29 25 25 23 21 21 29 16 16 26 16 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 O O O O O O O O O O Nb Nb H Nb O Nb Nb O O Nb O O H Nb Nb Nb O O H O O O Nb Nb Nb H Nb Nb Nb O O Nb O O O O O O O O O O H O O O O O O O O O O O O O H O O O O H -0.8489 -1.0025 -1.0058 -0.9335 -0.8741 -1.0024 -0.8244 -0.9068 -0.9062 -1.0087 2.1734 2.1022 0.2888 2.4680 -1.0017 2.3187 2.1717 -1.0996 -0.8984 2.0946 -0.9985 -1.0021 0.2553 2.2892 2.0650 2.3487 -0.8845 -0.9946 0.3208 -0.8975 -1.0033 -0.9852 2.0775 2.0329 2.0747 0.2474 2.0689 2.4157 2.0626 -1.0015 -0.9311 2.0617 -1.0890 -1.1803 -0.9054 -1.0055 -0.8726 -0.9664 -1.0985 -0.9483 -1.0526 -1.0630 0.2837 -0.9972 -0.8935 -0.9696 -1.0057 -1.0021 -0.9007 -0.8004 -1.0506 -1.0330 -1.0007 -0.8819 -0.9962 -0.8971 0.2589 -0.9323 -1.0924 -0.9312 -1.1902 0.2871 1.9612 1.9426 1.9410 1.9499 1.8753 1.9395 1.8762 1.9522 1.9524 1.9411 1.9229 1.9094 0.5518 1.8885 1.9429 1.8884 1.9040 1.9369 1.9536 1.9306 1.9442 1.9396 0.6306 1.8845 1.9004 1.8754 1.9563 1.9444 0.4882 1.9551 1.9395 1.9462 1.9032 1.9944 1.9063 0.6402 1.8893 1.8455 1.8994 1.9396 1.9458 1.8961 1.9402 1.9294 1.9524 1.9422 1.8738 1.8505 1.9400 1.9505 1.9419 1.9453 0.6060 1.9398 1.9676 1.9501 1.9420 1.9417 1.8774 1.8825 1.9381 1.9387 1.9416 1.9553 1.9399 1.9544 0.6317 1.9532 1.9382 1.8734 1.9226 0.5839 4.8592 5.0354 5.0407 4.9582 4.9727 5.0395 4.9217 4.9299 4.9290 5.0439 6.0997 6.1293 0.1594 6.0371 5.0343 6.0834 6.0868 5.1380 4.9197 6.1083 5.0297 5.0392 0.1141 6.0940 6.1468 6.0706 4.9022 5.0253 0.1911 4.9168 5.0405 5.0134 6.1363 6.1346 6.1418 0.1124 6.1470 6.0731 6.1446 5.0387 4.9594 6.1473 5.1235 5.2264 4.9282 5.0392 4.9712 5.0870 5.1340 4.9741 5.0889 5.0907 0.1103 5.0341 4.8964 4.9928 5.0396 5.0359 4.9943 4.8889 5.0930 5.0730 5.0352 4.9010 5.0325 4.9174 0.1094 4.9552 5.1274 5.0282 5.2446 0.1290 0.0284 0.0245 0.0241 0.0253 0.0261 0.0234 0.0266 0.0247 0.0248 0.0237 2.8040 2.8592 0.0000 2.6064 0.0245 2.7095 2.8375 0.0247 0.0251 2.8665 0.0247 0.0233 0.0000 2.7323 2.8878 2.7052 0.0260 0.0249 0.0000 0.0256 0.0232 0.0256 2.8831 2.8381 2.8772 0.0000 2.8948 2.6657 2.8934 0.0232 0.0260 2.8949 0.0254 0.0245 0.0248 0.0241 0.0276 0.0289 0.0244 0.0236 0.0219 0.0270 0.0000 0.0234 0.0294 0.0268 0.0241 0.0245 0.0289 0.0290 0.0196 0.0212 0.0239 0.0256 0.0238 0.0253 0.0000 0.0240 0.0268 0.0296 0.0231 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 O O O O O O O O O O Nb Nb H Nb O Nb Nb O O Nb O O H Nb Nb Nb O O H O O O Nb Nb Nb H Nb Nb Nb O O Nb O O O O O O O O O O H O O O O O O O O O O O O O H O O O O H -1.126497 -1.295820 -1.299314 -1.116321 -0.856689 -1.306900 -0.802418 -1.209622 -1.208938 -1.303159 2.968747 2.955998 0.017878 3.052204 -1.296312 2.994539 2.960502 -1.350104 -1.199858 2.941324 -1.287147 -1.305703 0.064316 3.005148 2.977707 3.007789 -1.175954 -1.284406 0.031101 -1.197393 -1.306813 -1.267202 2.975929 2.939032 2.973617 0.044622 2.975218 3.006979 2.961139 -1.304861 -1.064227 2.970643 -1.352330 -1.455724 -1.208478 -1.297571 -0.801367 -0.915692 -1.345784 -1.218379 -1.278786 -1.326410 0.055110 -1.299314 -1.079364 -1.254953 -1.298933 -1.295112 -0.830130 -0.746217 -1.251559 -1.306667 -1.291232 -1.186250 -1.298357 -1.197450 0.055400 -1.218965 -1.345029 -0.830942 -1.479364 0.041076 -0.895056 -1.066100 -1.075969 -0.965999 -0.915714 -1.083322 -0.881259 -1.004643 -1.004080 -1.080252 2.174425 2.174613 0.309188 2.089933 -1.077609 2.230415 2.266469 -1.005677 -0.990850 2.222463 -1.053637 -1.083099 0.350330 2.133379 2.282125 2.190213 -0.959554 -1.053272 0.296966 -0.984782 -1.081853 -1.015760 2.282688 2.234263 2.286422 0.367503 2.277819 2.238517 2.278985 -1.079654 -0.927576 2.276815 -0.971280 -0.913475 -1.002026 -1.070671 -0.995751 -1.104894 -1.048705 -1.038396 -0.956419 -0.997884 0.366044 -1.071683 -0.865487 -1.013082 -1.080337 -1.065693 -1.005231 -0.876561 -0.845820 -0.987362 -1.054993 -0.988734 -1.069673 -0.983655 0.362870 -1.007683 -0.926988 -1.000021 -0.836813 0.372589 -0.873644 -1.101006 -1.115384 -0.994647 -1.049881 -1.158884 -0.959018 -0.943832 -0.940735 -1.122942 2.281876 2.267270 0.484891 2.300978 -1.118729 2.359915 2.311520 -1.135473 -0.927736 2.287781 -1.064963 -1.157610 0.256416 2.261932 2.337792 2.269729 -0.926046 -1.068008 0.541487 -0.918706 -1.159901 -1.060209 2.337552 2.416348 2.349891 0.396427 2.335169 2.399506 2.325096 -1.161937 -1.000714 2.330077 -1.124597 -0.952508 -0.941071 -1.106889 -1.023030 -1.062037 -1.201654 -1.074105 -0.999979 -1.114506 0.384091 -1.147348 -0.904675 -1.008569 -1.127664 -1.109386 -1.038039 -0.766588 -1.067040 -1.071628 -1.106888 -0.943457 -1.137702 -0.922038 0.339087 -1.049810 -1.085315 -0.993740 -0.887648 0.353086 24.38839796 161.81546316 -38.69520126 168.15575123 -1087.13758710 173.21143684 -375.03493207 210.91234130 234.23994537 876.22524580 -388.7178 574.5875 -197.6603 -500.7441 -117.5607 -630.0955 Feb19-2021 18:54:57 Nodes: 1 Procs: 1 Feb19-2021 18:54:57 Nodes: 1 Procs: 1 0 Feb19-2021 18:54:58 Nodes: 1 Procs: 1 Feb19-2021 18:54:58 Nodes: 1 Procs: 1 Niobium (TZP, 3d frozen) 0 Feb19-2021 18:54:59 Nodes: 1 Procs: 1 Feb19-2021 18:54:59 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Feb19-2021 18:55:01 Nodes: 3 Procs: 84 *** (NO TITLE) *** -11 -23.07591509 -23.09551221 -23.10350600 -23.10964478 -23.11768462 -23.12671432 -23.13229940 -23.13593824 -23.13940817 -23.14189874 -23.14556817 -23.14743137 -23.14883318 -23.14979220 -23.15089459 -23.15126443 -23.15233464 -23.15265025 -23.15303871 -23.15365674 -23.15380838 -23.15371074 -23.15446619 -23.15463033 -23.15496736 -23.15526693 -23.15551173 -23.15536077 -23.15570599 -23.15565571 -23.15555974 -23.15535874 -23.15544201 -23.15558223 -23.15556947 -23.15555707 -23.15558296 GEOMETRY CONVERGED