ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 12:29:39 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.37 0.05 10.36 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun21-2024 12:29:39 Nodes: 1 Procs: 1 Jun21-2024 12:29:44 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 12:29:54 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.45 0.08 5.02 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun21-2024 12:29:39 Nodes: 1 Procs: 1 Jun21-2024 12:29:44 Nodes: 1 Procs: 1 0 Jun21-2024 12:29:54 Nodes: 1 Procs: 1 Jun21-2024 12:29:58 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 12:30:04 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.90 0.06 3.65 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 Jun21-2024 12:29:39 Nodes: 1 Procs: 1 Jun21-2024 12:29:44 Nodes: 1 Procs: 1 0 Jun21-2024 12:29:54 Nodes: 1 Procs: 1 Jun21-2024 12:29:58 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 12:30:04 Nodes: 1 Procs: 1 Jun21-2024 12:30:07 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 12:30:10 Arsenic (TZP, 3p frozen) c1-11 c1-11 c1-11 c1-11 c1-11 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.44 0.08 3.30 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun21-2024 12:29:39 Nodes: 1 Procs: 1 Jun21-2024 12:29:44 Nodes: 1 Procs: 1 0 Jun21-2024 12:29:54 Nodes: 1 Procs: 1 Jun21-2024 12:29:58 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 12:30:04 Nodes: 1 Procs: 1 Jun21-2024 12:30:07 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun21-2024 12:30:10 Nodes: 1 Procs: 1 Jun21-2024 12:30:13 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 12:30:21 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2900.732900000006 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-0.992895 -0.981878 Rho 0.3190115E+03 3,-3 15 3 -3 0.986977 0.982580 -0.983375 Rho 0.3190217E+03 3,-3 16 3 -3 -0.978142 0.984077 0.992307 Rho 0.3190115E+03 3,-3 17 3 -3 -3.028669 -1.105923 1.102982 Rho 0.3188594E+03 3,-3 18 3 -3 3.133219 -1.223715 -1.225615 Rho 0.3188036E+03 3,-3 19 3 -3 -3.012572 1.135278 -1.134226 Rho 0.3188657E+03 3,-3 20 3 -3 3.130041 1.225486 1.222517 Rho 0.3188033E+03 3,-3 21 3 -3 1.164365 -1.169352 -3.137327 Rho 0.3188148E+03 3,-3 22 3 -3 1.185291 1.197830 3.128089 Rho 0.3188153E+03 3,-3 23 3 -3 -1.185564 1.156120 -2.996776 Rho 0.3188558E+03 3,-3 24 3 -3 -1.243523 -1.150797 3.033896 Rho 0.3188782E+03 3,-3 25 3 -3 -1.186785 3.001901 -1.154756 Rho 0.3188580E+03 3,-3 26 3 -3 -1.244668 -3.041454 1.150036 Rho 0.3188800E+03 3,-3 27 3 -3 1.163670 3.138223 1.170328 Rho 0.3188151E+03 3,-3 28 3 -3 1.184031 -3.124222 -1.196210 Rho 0.3188150E+03 3,-3 29 3 -3 3.503214 -1.559966 1.560947 Rho 0.3188396E+03 3,-3 30 3 -3 -3.467893 -1.478461 -1.516636 Rho 0.3189159E+03 3,-3 31 3 -3 3.463972 1.589610 -1.589625 Rho 0.3188438E+03 3,-3 32 3 -3 -3.466048 1.513067 1.478903 Rho 0.3189148E+03 3,-3 33 3 -3 1.522010 -1.546014 3.540814 Rho 0.3188480E+03 3,-3 34 3 -3 1.442949 1.575753 -3.494991 Rho 0.3189333E+03 3,-3 35 3 -3 -1.628732 1.513429 3.440315 Rho 0.3189192E+03 3,-3 36 3 -3 -1.610444 -1.481943 -3.460834 Rho 0.3189292E+03 3,-3 37 3 -3 -1.630206 -3.438035 -1.516151 Rho 0.3189179E+03 3,-3 38 3 -3 -1.612242 3.459964 1.486602 Rho 0.3189289E+03 3,-3 39 3 -3 1.522754 -3.540492 1.544786 Rho 0.3188479E+03 3,-3 40 3 -3 1.440636 3.492801 -1.575774 Rho 0.3189321E+03 3,-3 41 3 -3 -0.250685 -3.845792 3.845185 Rho 0.3190779E+03 3,-3 42 3 -3 0.159299 -3.844763 -3.853637 Rho 0.3190699E+03 3,-3 43 3 -3 -0.297899 3.775687 -3.778735 Rho 0.3192104E+03 3,-3 44 3 -3 0.158859 3.855413 3.844960 Rho 0.3190699E+03 3,-3 45 3 -3 3.879440 -3.890400 -0.191052 Rho 0.3190644E+03 3,-3 46 3 -3 3.843766 3.889149 0.178676 Rho 0.3190675E+03 3,-3 47 3 -3 -3.810063 3.744221 -0.265405 Rho 0.3192112E+03 3,-3 48 3 -3 -3.846713 -3.716458 0.227159 Rho 0.3192055E+03 3,-3 49 3 -3 -3.810137 0.268073 -3.744118 Rho 0.3192113E+03 3,-3 50 3 -3 -3.844904 -0.229484 3.716715 Rho 0.3192055E+03 3,-3 51 3 -3 3.880049 0.191090 3.889522 Rho 0.3190645E+03 3,-3 52 3 -3 3.844566 -0.178887 -3.888839 Rho 0.3190675E+03 3,-3 53 3 -3 0.015123 -0.007943 0.007989 Rho 0.4276086E+05 3,-3 54 3 +1 -2.981764 -0.217405 -0.245957 Rho 0.6369299E-02 |GRAD(Rho)| 0.1971911E-15 GRAD(Rho)x -0.2789906E-16 GRAD(Rho)y -0.1422557E-15 GRAD(Rho)z -0.1336760E-15 Laplacian 0.2681913E-01 (-1/4)Del**2(Rho)) -0.6704782E-02 Diamond 0.7259079E-03 Metallicity 0.5623257E+00 Ellipticity -0.1915847E+01 Gb(Abramov) 0.5098233E-02 Vb(Abramov) -0.3491684E-02 Hb(Abramov) 0.1606549E-02 Ex_ueg -0.8719815E-03 Ec_ueg -0.2063071E-03 Delta_ex -0.1304045E-02 Delta_ec 0.6761201E-03 Delta_et -0.4013769E-02 Pxc 0.4226620E+01 Qxc -0.1928718E+01 3,+1 55 3 +1 -2.196576 1.190944 1.262966 Rho 0.2737181E-01 |GRAD(Rho)| 0.1371066E-10 GRAD(Rho)x 0.1072748E-10 GRAD(Rho)y 0.1827256E-11 GRAD(Rho)z -0.8340525E-11 Laplacian 0.1097439E+00 (-1/4)Del**2(Rho)) -0.2743598E-01 Diamond 0.1720419E-01 Metallicity 0.1561009E+01 Ellipticity -0.5818664E+01 Gb(Abramov) 0.2542862E-01 Vb(Abramov) -0.2342126E-01 Hb(Abramov) 0.2007359E-02 Ex_ueg -0.6092420E-02 Ec_ueg -0.1208857E-02 Delta_ex -0.7083953E-02 Delta_ec 0.2024259E-02 Delta_et -0.1823937E-01 Pxc 0.5039818E+01 Qxc -0.3499529E+01 3,+1 56 3 +1 -2.031996 -2.008316 -2.027769 Rho 0.1189985E-01 |GRAD(Rho)| 0.1670020E-15 GRAD(Rho)x 0.9075203E-16 GRAD(Rho)y 0.1030176E-15 GRAD(Rho)z 0.9508485E-16 Laplacian 0.5408835E-01 (-1/4)Del**2(Rho)) -0.1352209E-01 Diamond 0.1603380E-02 Metallicity 0.7902152E+00 Ellipticity -0.1075447E+01 Gb(Abramov) 0.1079562E-01 Vb(Abramov) -0.8069148E-02 Hb(Abramov) 0.2726469E-02 Ex_ueg -0.2006506E-02 Ec_ueg -0.4549478E-03 Delta_ex -0.2495249E-02 Delta_ec 0.4207525E-03 Delta_et -0.3365622E-02 Pxc 0.4410409E+01 Qxc -0.5930445E+01 3,+1 57 3 +1 -0.536955 -1.692850 0.574798 Rho 0.8066400E-02 |GRAD(Rho)| 0.5515026E-17 GRAD(Rho)x -0.2125644E-17 GRAD(Rho)y -0.1155280E-17 GRAD(Rho)z -0.4956054E-17 Laplacian 0.3076324E-01 (-1/4)Del**2(Rho)) -0.7690810E-02 Diamond 0.7707475E-03 Metallicity 0.7267427E+00 Ellipticity -0.1469185E+01 Gb(Abramov) 0.6058747E-02 Vb(Abramov) -0.4426683E-02 Hb(Abramov) 0.1632063E-02 Ex_ueg -0.1194789E-02 Ec_ueg -0.2811690E-03 Delta_ex -0.1390833E-02 Delta_ec 0.4471498E-03 Delta_et -0.2994415E-02 Pxc 0.4249365E+01 Qxc -0.3110441E+01 3,+1 58 3 -1 -3.250602 -3.188156 0.074433 Rho 0.2292126E+00 |GRAD(Rho)| 0.1041527E-11 GRAD(Rho)x 0.7654855E-12 GRAD(Rho)y 0.6773097E-12 GRAD(Rho)z -0.2001532E-12 Laplacian 0.8450664E+00 (-1/4)Del**2(Rho)) -0.2112666E+00 Diamond 0.2825954E+01 Metallicity 0.7000351E+01 Ellipticity 0.2066978E-02 Gb(Abramov) 0.3873345E+00 Vb(Abramov) -0.5634023E+00 Hb(Abramov) -0.1760679E+00 Ex_ueg -0.1036024E+00 Ec_ueg -0.1369660E-01 Delta_ex -0.1008746E+00 Delta_ec 0.1890264E-01 Delta_et -0.2612721E+00 Pxc 0.7564095E+01 Qxc -0.5336535E+01 3,-1 59 3 +1 -0.537290 0.534922 -1.663266 Rho 0.8483089E-02 |GRAD(Rho)| 0.1055602E-16 GRAD(Rho)x -0.7248129E-17 GRAD(Rho)y -0.7293066E-17 GRAD(Rho)z -0.2388606E-17 Laplacian 0.3312332E-01 (-1/4)Del**2(Rho)) -0.8280831E-02 Diamond 0.8806446E-03 Metallicity 0.7340674E+00 Ellipticity -0.1452308E+01 Gb(Abramov) 0.6533669E-02 Vb(Abramov) -0.4786506E-02 Hb(Abramov) 0.1747162E-02 Ex_ueg -0.1277783E-02 Ec_ueg -0.2997522E-03 Delta_ex -0.1512837E-02 Delta_ec 0.4747858E-03 Delta_et -0.3226647E-02 Pxc 0.4262797E+01 Qxc -0.3186357E+01 3,+1 60 3 -1 -3.019269 0.849896 1.980635 Rho 0.1237775E+00 |GRAD(Rho)| 0.4412478E-15 GRAD(Rho)x -0.1230298E-15 GRAD(Rho)y 0.3217912E-15 GRAD(Rho)z -0.2757058E-15 Laplacian 0.4858749E+00 (-1/4)Del**2(Rho)) -0.1214687E+00 Diamond 0.7806032E+00 Metallicity 0.4360052E+01 Ellipticity 0.3048513E-01 Gb(Abramov) 0.1692475E+00 Vb(Abramov) -0.2170262E+00 Hb(Abramov) -0.4777874E-01 Ex_ueg -0.4555899E-01 Ec_ueg -0.6786693E-02 Delta_ex -0.4978795E-01 Delta_ec 0.1289026E-01 Delta_et -0.1665244E+00 Pxc 0.6712988E+01 Qxc -0.3862448E+01 3,-1 61 3 +1 -0.535680 1.666175 -0.536937 Rho 0.8447485E-02 |GRAD(Rho)| 0.3875850E-17 GRAD(Rho)x -0.1826317E-17 GRAD(Rho)y 0.3404014E-17 GRAD(Rho)z -0.3153841E-18 Laplacian 0.3297299E-01 (-1/4)Del**2(Rho)) -0.8243247E-02 Diamond 0.8710254E-03 Metallicity 0.7322633E+00 Ellipticity -0.1450125E+01 Gb(Abramov) 0.6501535E-02 Vb(Abramov) -0.4759824E-02 Hb(Abramov) 0.1741711E-02 Ex_ueg -0.1270637E-02 Ec_ueg -0.2981614E-03 Delta_ex -0.1504092E-02 Delta_ec 0.4721250E-03 Delta_et -0.3205482E-02 Pxc 0.4261576E+01 Qxc -0.3185792E+01 3,+1 62 3 -1 -3.025431 1.995336 0.840699 Rho 0.1426620E+00 |GRAD(Rho)| 0.2422031E-15 GRAD(Rho)x 0.1964574E-15 GRAD(Rho)y 0.3816392E-16 GRAD(Rho)z -0.1364197E-15 Laplacian 0.5546643E+00 (-1/4)Del**2(Rho)) -0.1386661E+00 Diamond 0.1058645E+01 Metallicity 0.4839090E+01 Ellipticity 0.4144626E-01 Gb(Abramov) 0.2042803E+00 Vb(Abramov) -0.2698946E+00 Hb(Abramov) -0.6561424E-01 Ex_ueg -0.5505494E-01 Ec_ueg -0.7975446E-02 Delta_ex -0.5884183E-01 Delta_ec 0.1425468E-01 Delta_et -0.1884119E+00 Pxc 0.6903055E+01 Qxc -0.4127897E+01 3,-1 63 3 +1 -1.796976 -1.761933 1.757960 Rho 0.1187205E-01 |GRAD(Rho)| 0.1601411E-16 GRAD(Rho)x -0.9937429E-17 GRAD(Rho)y 0.1254177E-16 GRAD(Rho)z 0.6349181E-18 Laplacian 0.5805928E-01 (-1/4)Del**2(Rho)) -0.1451482E-01 Diamond 0.2259057E-02 Metallicity 0.7333042E+00 Ellipticity -0.1266779E+01 Gb(Abramov) 0.1145051E-01 Vb(Abramov) -0.8386199E-02 Hb(Abramov) 0.3064310E-02 Ex_ueg -0.2000257E-02 Ec_ueg -0.4536654E-03 Delta_ex -0.2836012E-02 Delta_ec 0.7361084E-03 Delta_et -0.5518650E-02 Pxc 0.4409102E+01 Qxc -0.3852710E+01 3,+1 64 3 -1 -3.028281 -0.841579 -1.995991 Rho 0.1445534E+00 |GRAD(Rho)| 0.8592675E-16 GRAD(Rho)x -0.2420481E-16 GRAD(Rho)y -0.1084202E-17 GRAD(Rho)z -0.8244002E-16 Laplacian 0.5622967E+00 (-1/4)Del**2(Rho)) -0.1405742E+00 Diamond 0.1090457E+01 Metallicity 0.4879347E+01 Ellipticity 0.4269863E-01 Gb(Abramov) 0.2080345E+00 Vb(Abramov) -0.2754948E+00 Hb(Abramov) -0.6746030E-01 Ex_ueg -0.5603031E-01 Ec_ueg -0.8095773E-02 Delta_ex -0.5984517E-01 Delta_ec 0.1440664E-01 Delta_et -0.1907939E+00 Pxc 0.6920934E+01 Qxc -0.4153999E+01 3,-1 65 3 +1 -1.666051 -0.514628 0.517442 Rho 0.8880338E-02 |GRAD(Rho)| 0.4035775E-16 GRAD(Rho)x 0.7698782E-17 GRAD(Rho)y -0.2120869E-16 GRAD(Rho)z -0.3346144E-16 Laplacian 0.3481873E-01 (-1/4)Del**2(Rho)) -0.8704683E-02 Diamond 0.9681919E-03 Metallicity 0.7536726E+00 Ellipticity -0.1446633E+01 Gb(Abramov) 0.6896535E-02 Vb(Abramov) -0.5088388E-02 Hb(Abramov) 0.1808147E-02 Ex_ueg -0.1358181E-02 Ec_ueg -0.3175406E-03 Delta_ex -0.1601377E-02 Delta_ec 0.4859087E-03 Delta_et -0.3351897E-02 Pxc 0.4277189E+01 Qxc -0.3295632E+01 3,+1 66 3 +1 -1.026899 1.466613 2.201054 Rho 0.2536821E-01 |GRAD(Rho)| 0.3944390E-13 GRAD(Rho)x 0.2569977E-13 GRAD(Rho)y 0.2836685E-13 GRAD(Rho)z 0.9521824E-14 Laplacian 0.9656252E-01 (-1/4)Del**2(Rho)) -0.2414063E-01 Diamond 0.1083526E-01 Metallicity 0.1562983E+01 Ellipticity -0.2229353E+01 Gb(Abramov) 0.2238232E-01 Vb(Abramov) -0.2062401E-01 Hb(Abramov) 0.1758309E-02 Ex_ueg -0.5505181E-02 Ec_ueg -0.1107271E-02 Delta_ex -0.5810744E-02 Delta_ec 0.1248602E-02 Delta_et -0.1114747E-01 Pxc 0.4971846E+01 Qxc -0.4653801E+01 3,+1 67 3 +3 -1.093813 -1.140125 1.135477 Rho 0.4937416E-02 |GRAD(Rho)| 0.7730764E-17 GRAD(Rho)x -0.5535637E-17 GRAD(Rho)y -0.4498840E-17 GRAD(Rho)z 0.2980247E-17 Laplacian 0.1901515E-01 (-1/4)Del**2(Rho)) -0.4753789E-02 Diamond 0.1316492E-03 Metallicity 0.5188154E+00 Ellipticity -0.1246526E+00 Gb(Abramov) 0.3580249E-02 Vb(Abramov) -0.2406709E-02 Hb(Abramov) 0.1173540E-02 Ex_ueg -0.6209424E-03 Ec_ueg -0.1442205E-03 Delta_ex -0.6557363E-03 Delta_ec 0.8567089E-04 Delta_et -0.6712396E-03 Pxc 0.4305506E+01 Qxc -0.7654132E+01 3,+3 68 3 +1 -0.537395 -0.572869 1.688839 Rho 0.8123137E-02 |GRAD(Rho)| 0.1638409E-15 GRAD(Rho)x 0.4231898E-16 GRAD(Rho)y -0.1398817E-15 GRAD(Rho)z 0.7406790E-16 Laplacian 0.3099577E-01 (-1/4)Del**2(Rho)) -0.7748943E-02 Diamond 0.7845125E-03 Metallicity 0.7297661E+00 Ellipticity -0.1472381E+01 Gb(Abramov) 0.6108448E-02 Vb(Abramov) -0.4467953E-02 Hb(Abramov) 0.1640495E-02 Ex_ueg -0.1206008E-02 Ec_ueg -0.2836947E-03 Delta_ex -0.1404047E-02 Delta_ec 0.4509593E-03 Delta_et -0.3025097E-02 Pxc 0.4251076E+01 Qxc -0.3113467E+01 3,+1 69 3 -1 -2.972002 0.013388 -0.016004 Rho 0.6533339E-02 |GRAD(Rho)| 0.2851149E-16 GRAD(Rho)x 0.1062645E-16 GRAD(Rho)y 0.1647242E-16 GRAD(Rho)z -0.2070369E-16 Laplacian 0.2605091E-01 (-1/4)Del**2(Rho)) -0.6512727E-02 Diamond 0.1018009E-02 Metallicity 0.6039703E+00 Ellipticity 0.1223063E+01 Gb(Abramov) 0.4997401E-02 Vb(Abramov) -0.3482074E-02 Hb(Abramov) 0.1515327E-02 Ex_ueg -0.9020528E-03 Ec_ueg -0.2134839E-03 Delta_ex -0.1461018E-02 Delta_ec 0.9913195E-03 Delta_et -0.5766275E-02 Pxc 0.4225390E+01 Qxc -0.1473812E+01 3,-1 70 3 -1 -2.789395 -0.538471 1.786402 Rho 0.1337483E+00 |GRAD(Rho)| 0.2494025E-13 GRAD(Rho)x 0.3395105E-14 GRAD(Rho)y 0.1499778E-13 GRAD(Rho)z 0.1963558E-13 Laplacian 0.5543064E+00 (-1/4)Del**2(Rho)) -0.1385766E+00 Diamond 0.9754914E+00 Metallicity 0.4348543E+01 Ellipticity 0.1043390E-01 Gb(Abramov) 0.1928188E+00 Vb(Abramov) -0.2470609E+00 Hb(Abramov) -0.5424217E-01 Ex_ueg -0.5051683E-01 Ec_ueg -0.7411435E-02 Delta_ex -0.5784741E-01 Delta_ec 0.1439636E-01 Delta_et -0.1882730E+00 Pxc 0.6816066E+01 Qxc -0.4018198E+01 3,-1 71 3 -1 -1.731173 0.533953 1.745050 Rho 0.4672411E-01 |GRAD(Rho)| 0.1188378E-15 GRAD(Rho)x -0.8053123E-16 GRAD(Rho)y -0.3414030E-16 GRAD(Rho)z 0.8044611E-16 Laplacian 0.1875709E+00 (-1/4)Del**2(Rho)) -0.4689272E-01 Diamond 0.8603118E-01 Metallicity 0.2226808E+01 Ellipticity 0.2038672E-01 Gb(Abramov) 0.4866532E-01 Vb(Abramov) -0.5043793E-01 Hb(Abramov) -0.1772607E-02 Ex_ueg -0.1242910E-01 Ec_ueg -0.2234611E-02 Delta_ex -0.1514653E-01 Delta_ec 0.5533918E-02 Delta_et -0.5731211E-01 Pxc 0.5562087E+01 Qxc -0.2737034E+01 3,-1 72 3 -1 -3.236029 0.089063 -3.200962 Rho 0.2300206E+00 |GRAD(Rho)| 0.1461935E-15 GRAD(Rho)x 0.1301043E-15 GRAD(Rho)y 0.6665133E-16 GRAD(Rho)z 0.1734723E-17 Laplacian 0.8471321E+00 (-1/4)Del**2(Rho)) -0.2117830E+00 Diamond 0.2846095E+01 Metallicity 0.7024356E+01 Ellipticity 0.2586576E-02 Gb(Abramov) 0.3891286E+00 Vb(Abramov) -0.5664741E+00 Hb(Abramov) -0.1773456E+00 Ex_ueg -0.1040896E+00 Ec_ueg -0.1375199E-01 Delta_ex -0.1012206E+00 Delta_ec 0.1894169E-01 Delta_et -0.2619046E+00 Pxc 0.7569055E+01 Qxc -0.5343798E+01 3,-1 73 3 +1 0.572630 0.548806 1.721599 Rho 0.7681238E-02 |GRAD(Rho)| 0.1479685E-14 GRAD(Rho)x 0.8070312E-15 GRAD(Rho)y 0.6257648E-15 GRAD(Rho)z 0.1070788E-14 Laplacian 0.2822867E-01 (-1/4)Del**2(Rho)) -0.7057168E-02 Diamond 0.6399646E-03 Metallicity 0.7299752E+00 Ellipticity -0.1452942E+01 Gb(Abramov) 0.5563371E-02 Vb(Abramov) -0.4069575E-02 Hb(Abramov) 0.1493796E-02 Ex_ueg -0.1119335E-02 Ec_ueg -0.2640616E-03 Delta_ex -0.1249365E-02 Delta_ec 0.3899823E-03 Delta_et -0.2594986E-02 Pxc 0.4238916E+01 Qxc -0.3203645E+01 3,+1 74 3 +1 -2.982645 0.244740 0.216866 Rho 0.6365789E-02 |GRAD(Rho)| 0.4131994E-14 GRAD(Rho)x -0.5621338E-15 GRAD(Rho)y 0.2938243E-14 GRAD(Rho)z 0.2850281E-14 Laplacian 0.2680259E-01 (-1/4)Del**2(Rho)) -0.6700648E-02 Diamond 0.7238735E-03 Metallicity 0.5621559E+00 Ellipticity -0.1908983E+01 Gb(Abramov) 0.5094900E-02 Vb(Abramov) -0.3489152E-02 Hb(Abramov) 0.1605748E-02 Ex_ueg -0.8713408E-03 Ec_ueg -0.2061536E-03 Delta_ex -0.1302382E-02 Delta_ec 0.6744448E-03 Delta_et -0.4003794E-02 Pxc 0.4226658E+01 Qxc -0.1931043E+01 3,+1 75 3 -1 -3.249586 -0.074461 3.188219 Rho 0.2292398E+00 |GRAD(Rho)| 0.1959204E-14 GRAD(Rho)x 0.1507583E-14 GRAD(Rho)y 0.3556183E-15 GRAD(Rho)z -0.1199670E-14 Laplacian 0.8451147E+00 (-1/4)Del**2(Rho)) -0.2112787E+00 Diamond 0.2826522E+01 Metallicity 0.7001336E+01 Ellipticity 0.2032383E-02 Gb(Abramov) 0.3873913E+00 Vb(Abramov) -0.5635039E+00 Hb(Abramov) -0.1761126E+00 Ex_ueg -0.1036188E+00 Ec_ueg -0.1369846E-01 Delta_ex -0.1008835E+00 Delta_ec 0.1890310E-01 Delta_et -0.2612799E+00 Pxc 0.7564262E+01 Qxc -0.5336877E+01 3,-1 76 3 -1 -1.736872 -0.544722 -1.738063 Rho 0.4578308E-01 |GRAD(Rho)| 0.6465115E-16 GRAD(Rho)x 0.4289798E-16 GRAD(Rho)y -0.1977547E-16 GRAD(Rho)z 0.4414143E-16 Laplacian 0.1838771E+00 (-1/4)Del**2(Rho)) -0.4596928E-01 Diamond 0.8188905E-01 Metallicity 0.2195805E+01 Ellipticity 0.1684935E-01 Gb(Abramov) 0.4746945E-01 Vb(Abramov) -0.4896962E-01 Hb(Abramov) -0.1500171E-02 Ex_ueg -0.1209646E-01 Ec_ueg -0.2183139E-02 Delta_ex -0.1476553E-01 Delta_ec 0.5413041E-02 Delta_et -0.5575777E-01 Pxc 0.5540858E+01 Qxc -0.2727771E+01 3,-1 77 3 +3 0.020844 2.340878 0.002840 Rho 0.4345776E-02 |GRAD(Rho)| 0.3043453E-17 GRAD(Rho)x 0.2494618E-17 GRAD(Rho)y -0.9091158E-18 GRAD(Rho)z -0.1487614E-17 Laplacian 0.1740095E-01 (-1/4)Del**2(Rho)) -0.4350237E-02 Diamond 0.1350307E-03 Metallicity 0.4583027E+00 Ellipticity -0.3107405E+00 Gb(Abramov) 0.3232446E-02 Vb(Abramov) -0.2114654E-02 Hb(Abramov) 0.1117792E-02 Ex_ueg -0.5237710E-03 Ec_ueg -0.1188684E-03 Delta_ex -0.6172159E-03 Delta_ec 0.1460593E-03 Delta_et -0.9250672E-03 Pxc 0.4406309E+01 Qxc -0.4225791E+01 3,+3 78 3 -1 -2.785743 0.548262 -1.800759 Rho 0.1355751E+00 |GRAD(Rho)| 0.2181501E-12 GRAD(Rho)x 0.2407789E-13 GRAD(Rho)y -0.1371867E-12 GRAD(Rho)z -0.1678974E-12 Laplacian 0.5666233E+00 (-1/4)Del**2(Rho)) -0.1416558E+00 Diamond 0.1014093E+01 Metallicity 0.4351296E+01 Ellipticity 0.1061822E-01 Gb(Abramov) 0.1971683E+00 Vb(Abramov) -0.2526807E+00 Hb(Abramov) -0.5551245E-01 Ex_ueg -0.5143889E-01 Ec_ueg -0.7526608E-02 Delta_ex -0.5933381E-01 Delta_ec 0.1467909E-01 Delta_et -0.1923987E+00 Pxc 0.6834272E+01 Qxc -0.4042065E+01 3,-1 79 3 +1 -1.664080 0.520685 -0.520209 Rho 0.8618846E-02 |GRAD(Rho)| 0.1270264E-16 GRAD(Rho)x -0.9566317E-17 GRAD(Rho)y -0.1680684E-17 GRAD(Rho)z -0.8186441E-17 Laplacian 0.3376769E-01 (-1/4)Del**2(Rho)) -0.8441922E-02 Diamond 0.9108171E-03 Metallicity 0.7393675E+00 Ellipticity -0.1446773E+01 Gb(Abramov) 0.6668228E-02 Vb(Abramov) -0.4894535E-02 Hb(Abramov) 0.1773693E-02 Ex_ueg -0.1305120E-02 Ec_ueg -0.3058234E-03 Delta_ex -0.1545494E-02 Delta_ec 0.4787361E-03 Delta_et -0.3271084E-02 Pxc 0.4267562E+01 Qxc -0.3228280E+01 3,+1 80 3 +1 -2.198470 -1.269577 -1.184676 Rho 0.2731782E-01 |GRAD(Rho)| 0.7450705E-16 GRAD(Rho)x 0.7176971E-16 GRAD(Rho)y 0.2000494E-16 GRAD(Rho)z -0.4590832E-18 Laplacian 0.1093118E+00 (-1/4)Del**2(Rho)) -0.2732794E-01 Diamond 0.1701140E-01 Metallicity 0.1562031E+01 Ellipticity -0.5594288E+01 Gb(Abramov) 0.2533314E-01 Vb(Abramov) -0.2333834E-01 Hb(Abramov) 0.1994800E-02 Ex_ueg -0.6076400E-02 Ec_ueg -0.1206106E-02 Delta_ex -0.7044782E-02 Delta_ec 0.2002751E-02 Delta_et -0.1803880E-01 Pxc 0.5038031E+01 Qxc -0.3517553E+01 3,+1 81 3 +1 0.556387 -0.550818 -1.715645 Rho 0.7760704E-02 |GRAD(Rho)| 0.2310633E-16 GRAD(Rho)x -0.1197947E-16 GRAD(Rho)y -0.1899523E-16 GRAD(Rho)z -0.5438405E-17 Laplacian 0.2861341E-01 (-1/4)Del**2(Rho)) -0.7153353E-02 Diamond 0.6499266E-03 Metallicity 0.7326199E+00 Ellipticity -0.1439689E+01 Gb(Abramov) 0.5642350E-02 Vb(Abramov) -0.4131347E-02 Hb(Abramov) 0.1511003E-02 Ex_ueg -0.1134801E-02 Ec_ueg -0.2675856E-03 Delta_ex -0.1265586E-02 Delta_ec 0.3879987E-03 Delta_et -0.2594863E-02 Pxc 0.4240891E+01 Qxc -0.3261831E+01 3,+1 82 3 -1 -0.065089 -0.053079 -2.997739 Rho 0.5276028E-02 |GRAD(Rho)| 0.1391832E-13 GRAD(Rho)x 0.1509218E-14 GRAD(Rho)y 0.1281413E-13 GRAD(Rho)z 0.5219175E-14 Laplacian 0.2045596E-01 (-1/4)Del**2(Rho)) -0.5113990E-02 Diamond 0.5641606E-03 Metallicity 0.5386480E+00 Ellipticity 0.5760206E+01 Gb(Abramov) 0.3868434E-02 Vb(Abramov) -0.2622877E-02 Hb(Abramov) 0.1245557E-02 Ex_ueg -0.6783615E-03 Ec_ueg -0.1588107E-03 Delta_ex -0.1072108E-02 Delta_ec 0.7234430E-03 Delta_et -0.3960925E-02 Pxc 0.4271510E+01 Qxc -0.1481952E+01 3,-1 83 3 +3 -2.251736 0.013345 -0.010502 Rho 0.5017761E-02 |GRAD(Rho)| 0.3379490E-15 GRAD(Rho)x 0.2438048E-15 GRAD(Rho)y -0.1620743E-15 GRAD(Rho)z -0.1688215E-15 Laplacian 0.2078431E-01 (-1/4)Del**2(Rho)) -0.5196079E-02 Diamond 0.1810245E-03 Metallicity 0.4875967E+00 Ellipticity -0.3426285E+00 Gb(Abramov) 0.3886318E-02 Vb(Abramov) -0.2576556E-02 Hb(Abramov) 0.1309761E-02 Ex_ueg -0.6344514E-03 Ec_ueg -0.1476772E-03 Delta_ex -0.7512981E-03 Delta_ec 0.1495954E-03 Delta_et -0.1017341E-02 Pxc 0.4296204E+01 Qxc -0.5022200E+01 3,+3 84 3 +1 0.571346 -1.719866 -0.547666 Rho 0.7715999E-02 |GRAD(Rho)| 0.8195775E-17 GRAD(Rho)x 0.6270649E-17 GRAD(Rho)y -0.1088523E-17 GRAD(Rho)z 0.5163797E-17 Laplacian 0.2837879E-01 (-1/4)Del**2(Rho)) -0.7094697E-02 Diamond 0.6476446E-03 Metallicity 0.7315988E+00 Ellipticity -0.1454462E+01 Gb(Abramov) 0.5594876E-02 Vb(Abramov) -0.4095056E-02 Hb(Abramov) 0.1499820E-02 Ex_ueg -0.1126094E-02 Ec_ueg -0.2656028E-03 Delta_ex -0.1257597E-02 Delta_ec 0.3923451E-03 Delta_et -0.2613502E-02 Pxc 0.4239768E+01 Qxc -0.3205334E+01 3,+1 85 3 -1 -2.049879 0.858331 3.019236 Rho 0.1621161E+00 |GRAD(Rho)| 0.5053482E-15 GRAD(Rho)x -0.2971934E-15 GRAD(Rho)y -0.2677979E-15 GRAD(Rho)z -0.3087672E-15 Laplacian 0.6280000E+00 (-1/4)Del**2(Rho)) -0.1570000E+00 Diamond 0.1392517E+01 Metallicity 0.5288879E+01 Ellipticity 0.3956558E-01 Gb(Abramov) 0.2430590E+00 Vb(Abramov) -0.3291180E+00 Hb(Abramov) -0.8605899E-01 Ex_ueg -0.6528596E-01 Ec_ueg -0.9223574E-02 Delta_ex -0.6870712E-01 Delta_ec 0.1555255E-01 Delta_et -0.2089846E+00 Pxc 0.7078162E+01 Qxc -0.4417741E+01 3,-1 86 3 +1 1.726255 0.568841 0.580936 Rho 0.7385650E-02 |GRAD(Rho)| 0.6536017E-15 GRAD(Rho)x -0.4526870E-15 GRAD(Rho)y -0.2188859E-15 GRAD(Rho)z -0.4175628E-15 Laplacian 0.2694115E-01 (-1/4)Del**2(Rho)) -0.6735287E-02 Diamond 0.5854435E-03 Metallicity 0.7164375E+00 Ellipticity -0.1457711E+01 Gb(Abramov) 0.5294426E-02 Vb(Abramov) -0.3853566E-02 Hb(Abramov) 0.1440860E-02 Ex_ueg -0.1062274E-02 Ec_ueg -0.2509788E-03 Delta_ex -0.1184246E-02 Delta_ec 0.3785268E-03 Delta_et -0.2487914E-02 Pxc 0.4232526E+01 Qxc -0.3128567E+01 3,+1 87 3 +3 -1.972882 1.975152 1.959964 Rho 0.1188528E-01 |GRAD(Rho)| 0.8633160E-17 GRAD(Rho)x -0.8087803E-17 GRAD(Rho)y 0.5985171E-18 GRAD(Rho)z -0.2959843E-17 Laplacian 0.5375664E-01 (-1/4)Del**2(Rho)) -0.1343916E-01 Diamond 0.1381265E-02 Metallicity 0.7934697E+00 Ellipticity -0.9059892E+00 Gb(Abramov) 0.1073670E-01 Vb(Abramov) -0.8034241E-02 Hb(Abramov) 0.2702459E-02 Ex_ueg -0.2003231E-02 Ec_ueg -0.4542759E-03 Delta_ex -0.2417750E-02 Delta_ec 0.3086458E-03 Delta_et -0.2609441E-02 Pxc 0.4409724E+01 Qxc -0.7833413E+01 3,+3 88 3 +1 0.152622 0.165722 -3.008068 Rho 0.5220071E-02 |GRAD(Rho)| 0.8490558E-17 GRAD(Rho)x 0.4242226E-17 GRAD(Rho)y -0.7297526E-17 GRAD(Rho)z -0.9160870E-18 Laplacian 0.2066830E-01 (-1/4)Del**2(Rho)) -0.5167075E-02 Diamond 0.4742009E-03 Metallicity 0.5237239E+00 Ellipticity -0.2574411E+01 Gb(Abramov) 0.3895737E-02 Vb(Abramov) -0.2624398E-02 Hb(Abramov) 0.1271338E-02 Ex_ueg -0.6687856E-03 Ec_ueg -0.1563956E-03 Delta_ex -0.1004190E-02 Delta_ec 0.5936609E-03 Delta_et -0.3289031E-02 Pxc 0.4276243E+01 Qxc -0.1691522E+01 3,+1 89 3 +1 -1.775749 1.752716 -1.749872 Rho 0.1252039E-01 |GRAD(Rho)| 0.2754886E-14 GRAD(Rho)x 0.2352482E-14 GRAD(Rho)y 0.1005743E-14 GRAD(Rho)z -0.1021620E-14 Laplacian 0.6260835E-01 (-1/4)Del**2(Rho)) -0.1565209E-01 Diamond 0.2604269E-02 Metallicity 0.7430373E+00 Ellipticity -0.1248743E+01 Gb(Abramov) 0.1237307E-01 Vb(Abramov) -0.9094057E-02 Hb(Abramov) 0.3279015E-02 Ex_ueg -0.2147215E-02 Ec_ueg -0.4836450E-03 Delta_ex -0.3097198E-02 Delta_ec 0.7858904E-03 Delta_et -0.5974337E-02 Pxc 0.4439651E+01 Qxc -0.3941004E+01 3,+1 90 3 +1 0.558158 1.716679 0.548958 Rho 0.7756555E-02 |GRAD(Rho)| 0.1273082E-16 GRAD(Rho)x 0.8162709E-17 GRAD(Rho)y 0.2608699E-17 GRAD(Rho)z -0.9414816E-17 Laplacian 0.2861148E-01 (-1/4)Del**2(Rho)) -0.7152871E-02 Diamond 0.6494492E-03 Metallicity 0.7320165E+00 Ellipticity -0.1439015E+01 Gb(Abramov) 0.5641251E-02 Vb(Abramov) -0.4129630E-02 Hb(Abramov) 0.1511620E-02 Ex_ueg -0.1133993E-02 Ec_ueg -0.2674015E-03 Delta_ex -0.1265351E-02 Delta_ec 0.3880090E-03 Delta_et -0.2594544E-02 Pxc 0.4240786E+01 Qxc -0.3261138E+01 3,+1 91 3 +1 -2.030916 2.026406 2.010008 Rho 0.1189481E-01 |GRAD(Rho)| 0.7083493E-14 GRAD(Rho)x 0.3959063E-14 GRAD(Rho)y -0.4178126E-14 GRAD(Rho)z -0.4128553E-14 Laplacian 0.5408077E-01 (-1/4)Del**2(Rho)) -0.1352019E-01 Diamond 0.1601767E-02 Metallicity 0.7897674E+00 Ellipticity -0.1074757E+01 Gb(Abramov) 0.1079310E-01 Vb(Abramov) -0.8066000E-02 Hb(Abramov) 0.2727096E-02 Ex_ueg -0.2005372E-02 Ec_ueg -0.4547150E-03 Delta_ex -0.2494472E-02 Delta_ec 0.4204596E-03 Delta_et -0.3363302E-02 Pxc 0.4410172E+01 Qxc -0.5932727E+01 3,+1 92 3 -1 -2.050765 -3.017879 -0.858451 Rho 0.1612394E+00 |GRAD(Rho)| 0.4220452E-15 GRAD(Rho)x -0.2870967E-15 GRAD(Rho)y -0.8207410E-16 GRAD(Rho)z 0.2982640E-15 Laplacian 0.6246358E+00 (-1/4)Del**2(Rho)) -0.1561590E+00 Diamond 0.1375814E+01 Metallicity 0.5269524E+01 Ellipticity 0.3920435E-01 Gb(Abramov) 0.2412532E+00 Vb(Abramov) -0.3263475E+00 Hb(Abramov) -0.8509425E-01 Ex_ueg -0.6481564E-01 Ec_ueg -0.9166835E-02 Delta_ex -0.6824477E-01 Delta_ec 0.1548654E-01 Delta_et -0.2079466E+00 Pxc 0.7070668E+01 Qxc -0.4406715E+01 3,-1 93 3 -1 -1.849079 -2.807936 0.567666 Rho 0.1685923E+00 |GRAD(Rho)| 0.1958634E-13 GRAD(Rho)x -0.1427097E-13 GRAD(Rho)y 0.3292993E-14 GRAD(Rho)z -0.1300463E-13 Laplacian 0.6918654E+00 (-1/4)Del**2(Rho)) -0.1729663E+00 Diamond 0.1598652E+01 Metallicity 0.5124535E+01 Ellipticity 0.1520500E-01 Gb(Abramov) 0.2630396E+00 Vb(Abramov) -0.3531128E+00 Hb(Abramov) -0.9007322E-01 Ex_ueg -0.6878631E-01 Ec_ueg -0.9644126E-02 Delta_ex -0.7635698E-01 Delta_ec 0.1682026E-01 Delta_et -0.2266965E+00 Pxc 0.7132457E+01 Qxc -0.4539583E+01 3,-1 94 3 +3 -1.973544 -1.957874 -1.975794 Rho 0.1189005E-01 |GRAD(Rho)| 0.3429206E-16 GRAD(Rho)x 0.1227288E-16 GRAD(Rho)y 0.2416528E-17 GRAD(Rho)z 0.3192933E-16 Laplacian 0.5376033E-01 (-1/4)Del**2(Rho)) -0.1344008E-01 Diamond 0.1380632E-02 Metallicity 0.7939458E+00 Ellipticity -0.9049113E+00 Gb(Abramov) 0.1073850E-01 Vb(Abramov) -0.8036926E-02 Hb(Abramov) 0.2701578E-02 Ex_ueg -0.2004303E-02 Ec_ueg -0.4544958E-03 Delta_ex -0.2417756E-02 Delta_ec 0.3078838E-03 Delta_et -0.2604529E-02 Pxc 0.4409949E+01 Qxc -0.7852820E+01 3,+3 95 3 -1 -1.825299 2.781548 -0.561567 Rho 0.1472991E+00 |GRAD(Rho)| 0.4119319E-14 GRAD(Rho)x -0.3110603E-14 GRAD(Rho)y -0.5066341E-15 GRAD(Rho)z 0.2652595E-14 Laplacian 0.6122756E+00 (-1/4)Del**2(Rho)) -0.1530689E+00 Diamond 0.1208542E+01 Metallicity 0.4623807E+01 Ellipticity 0.1596430E-01 Gb(Abramov) 0.2200061E+00 Vb(Abramov) -0.2869433E+00 Hb(Abramov) -0.6693720E-01 Ex_ueg -0.5745377E-01 Ec_ueg -0.8270842E-02 Delta_ex -0.6540434E-01 Delta_ec 0.1550564E-01 Delta_et -0.2056608E+00 Pxc 0.6946544E+01 Qxc -0.4218099E+01 3,-1 96 3 -1 -2.043651 3.029422 0.849054 Rho 0.1645010E+00 |GRAD(Rho)| 0.4571329E-15 GRAD(Rho)x 0.1181645E-15 GRAD(Rho)y 0.3236479E-15 GRAD(Rho)z 0.3004324E-15 Laplacian 0.6415439E+00 (-1/4)Del**2(Rho)) -0.1603860E+00 Diamond 0.1444126E+01 Metallicity 0.5304784E+01 Ellipticity 0.4318344E-01 Gb(Abramov) 0.2487261E+00 Vb(Abramov) -0.3370663E+00 Hb(Abramov) -0.8834017E-01 Ex_ueg -0.6656968E-01 Ec_ueg -0.9378159E-02 Delta_ex -0.7041276E-01 Delta_ec 0.1577230E-01 Delta_et -0.2121679E+00 Pxc 0.7098374E+01 Qxc -0.4464331E+01 3,-1 97 3 -1 -1.734413 1.740194 0.543611 Rho 0.4587183E-01 |GRAD(Rho)| 0.7748677E-16 GRAD(Rho)x 0.1634392E-16 GRAD(Rho)y -0.7573110E-16 GRAD(Rho)z -0.1370076E-17 Laplacian 0.1842355E+00 (-1/4)Del**2(Rho)) -0.4605887E-01 Diamond 0.8227583E-01 Metallicity 0.2198619E+01 Ellipticity 0.1682567E-01 Gb(Abramov) 0.4758356E-01 Vb(Abramov) -0.4910826E-01 Hb(Abramov) -0.1524693E-02 Ex_ueg -0.1212774E-01 Ec_ueg -0.2187987E-02 Delta_ex -0.1480202E-01 Delta_ec 0.5424450E-02 Delta_et -0.5590404E-01 Pxc 0.5542874E+01 Qxc -0.2728760E+01 3,-1 98 3 -1 -1.826486 0.561105 -2.777824 Rho 0.1455461E+00 |GRAD(Rho)| 0.3792344E-14 GRAD(Rho)x -0.3136543E-14 GRAD(Rho)y -0.1982301E-14 GRAD(Rho)z 0.7838714E-15 Laplacian 0.6051681E+00 (-1/4)Del**2(Rho)) -0.1512920E+00 Diamond 0.1178075E+01 Metallicity 0.4585692E+01 Ellipticity 0.1509210E-01 Gb(Abramov) 0.2164911E+00 Vb(Abramov) -0.2816902E+00 Hb(Abramov) -0.6519910E-01 Ex_ueg -0.5654392E-01 Ec_ueg -0.8159014E-02 Delta_ex -0.6446189E-01 Delta_ec 0.1538253E-01 Delta_et -0.2037075E+00 Pxc 0.6930239E+01 Qxc -0.4190590E+01 3,-1 99 3 +1 0.119446 -3.016790 0.139485 Rho 0.4710594E-02 |GRAD(Rho)| 0.5702658E-17 GRAD(Rho)x 0.1556556E-17 GRAD(Rho)y -0.1391823E-17 GRAD(Rho)z -0.5306625E-17 Laplacian 0.1805054E-01 (-1/4)Del**2(Rho)) -0.4512634E-02 Diamond 0.3636657E-03 Metallicity 0.5053387E+00 Ellipticity -0.2664231E+01 Gb(Abramov) 0.3388491E-02 Vb(Abramov) -0.2264347E-02 Hb(Abramov) 0.1124143E-02 Ex_ueg -0.5832024E-03 Ec_ueg -0.1344798E-03 Delta_ex -0.8622447E-03 Delta_ec 0.5237763E-03 Delta_et -0.2812185E-02 Pxc 0.4336728E+01 Qxc -0.1646208E+01 3,+1 100 3 +3 -1.105605 1.107585 -1.104617 Rho 0.5038920E-02 |GRAD(Rho)| 0.3505158E-17 GRAD(Rho)x -0.1143509E-17 GRAD(Rho)y 0.1716084E-17 GRAD(Rho)z 0.2834356E-17 Laplacian 0.1986782E-01 (-1/4)Del**2(Rho)) -0.4966956E-02 Diamond 0.1437068E-03 Metallicity 0.5136792E+00 Ellipticity -0.4096187E-01 Gb(Abramov) 0.3736541E-02 Vb(Abramov) -0.2506126E-02 Hb(Abramov) 0.1230415E-02 Ex_ueg -0.6380211E-03 Ec_ueg -0.1485881E-03 Delta_ex -0.6910987E-03 Delta_ec 0.9323208E-04 Delta_et -0.7225693E-03 Pxc 0.4293891E+01 Qxc -0.7412671E+01 3,+3 101 3 +1 0.118625 -0.136757 3.014192 Rho 0.4698565E-02 |GRAD(Rho)| 0.5026806E-11 GRAD(Rho)x 0.9464897E-12 GRAD(Rho)y 0.4924999E-11 GRAD(Rho)z 0.3425173E-12 Laplacian 0.1800116E-01 (-1/4)Del**2(Rho)) -0.4500289E-02 Diamond 0.3624512E-03 Metallicity 0.5045702E+00 Ellipticity -0.2697633E+01 Gb(Abramov) 0.3378645E-02 Vb(Abramov) -0.2257000E-02 Hb(Abramov) 0.1121644E-02 Ex_ueg -0.5812176E-03 Ec_ueg -0.1339640E-03 Delta_ex -0.8604875E-03 Delta_ec 0.5241895E-03 Delta_et -0.2811444E-02 Pxc 0.4338611E+01 Qxc -0.1641558E+01 3,+1 102 3 -1 -0.497533 1.745207 1.748740 Rho 0.4120874E-01 |GRAD(Rho)| 0.8191804E-16 GRAD(Rho)x 0.3581827E-16 GRAD(Rho)y 0.6530158E-16 GRAD(Rho)z 0.3410748E-16 Laplacian 0.1753415E+00 (-1/4)Del**2(Rho)) -0.4383538E-01 Diamond 0.7385152E-01 Metallicity 0.1932164E+01 Ellipticity 0.9983654E-02 Gb(Abramov) 0.4333977E-01 Vb(Abramov) -0.4284417E-01 Hb(Abramov) 0.4956062E-03 Ex_ueg -0.1051245E-01 Ec_ueg -0.1935023E-02 Delta_ex -0.1405921E-01 Delta_ec 0.5780835E-02 Delta_et -0.5798780E-01 Pxc 0.5432728E+01 Qxc -0.2432037E+01 3,-1 103 3 +1 -1.028132 -2.199830 -1.466308 Rho 0.2544506E-01 |GRAD(Rho)| 0.2991411E-16 GRAD(Rho)x -0.2933085E-16 GRAD(Rho)y 0.5392194E-17 GRAD(Rho)z -0.2340941E-17 Laplacian 0.9692362E-01 (-1/4)Del**2(Rho)) -0.2423090E-01 Diamond 0.1093168E-01 Metallicity 0.1565030E+01 Ellipticity -0.2235827E+01 Gb(Abramov) 0.2247429E-01 Vb(Abramov) -0.2071767E-01 Hb(Abramov) 0.1756618E-02 Ex_ueg -0.5527428E-02 Ec_ueg -0.1111148E-02 Delta_ex -0.5838456E-02 Delta_ec 0.1255210E-02 Delta_et -0.1121327E-01 Pxc 0.4974518E+01 Qxc -0.4651378E+01 3,+1 104 3 -1 1.774104 -0.538237 1.768773 Rho 0.3780486E-01 |GRAD(Rho)| 0.3101166E-16 GRAD(Rho)x -0.5102103E-17 GRAD(Rho)y -0.4586260E-17 GRAD(Rho)z -0.3024331E-16 Laplacian 0.1607910E+00 (-1/4)Del**2(Rho)) -0.4019775E-01 Diamond 0.5995569E-01 Metallicity 0.1825005E+01 Ellipticity 0.1917548E-01 Gb(Abramov) 0.3902535E-01 Vb(Abramov) -0.3785295E-01 Hb(Abramov) 0.1172399E-02 Ex_ueg -0.9370912E-02 Ec_ueg -0.1752787E-02 Delta_ex -0.1260844E-01 Delta_ec 0.5271753E-02 Delta_et -0.5163495E-01 Pxc 0.5346292E+01 Qxc -0.2391697E+01 3,-1 105 3 -1 -0.499132 -1.748687 -1.743658 Rho 0.4121486E-01 |GRAD(Rho)| 0.1977523E-16 GRAD(Rho)x -0.8146128E-17 GRAD(Rho)y -0.1210410E-16 GRAD(Rho)z 0.1334882E-16 Laplacian 0.1753864E+00 (-1/4)Del**2(Rho)) -0.4384660E-01 Diamond 0.7387641E-01 Metallicity 0.1932148E+01 Ellipticity 0.1006124E-01 Gb(Abramov) 0.4335075E-01 Vb(Abramov) -0.4285491E-01 Hb(Abramov) 0.4958474E-03 Ex_ueg -0.1051454E-01 Ec_ueg -0.1935353E-02 Delta_ex -0.1406281E-01 Delta_ec 0.5781420E-02 Delta_et -0.5799593E-01 Pxc 0.5432879E+01 Qxc -0.2432415E+01 3,-1 106 3 -1 -0.871148 -1.995937 -3.032523 Rho 0.9438890E-01 |GRAD(Rho)| 0.5980534E-16 GRAD(Rho)x -0.3163160E-16 GRAD(Rho)y -0.6783040E-17 GRAD(Rho)z 0.5030020E-16 Laplacian 0.3923316E+00 (-1/4)Del**2(Rho)) -0.9808290E-01 Diamond 0.4704496E+00 Metallicity 0.3436856E+01 Ellipticity 0.3457461E-02 Gb(Abramov) 0.1215714E+00 Vb(Abramov) -0.1450599E+00 Hb(Abramov) -0.2348851E-01 Ex_ueg -0.3174044E-01 Ec_ueg -0.4986423E-02 Delta_ex -0.3800864E-01 Delta_ec 0.1158542E-01 Delta_et -0.1428050E+00 Pxc 0.6365372E+01 Qxc -0.3280729E+01 3,-1 107 3 -1 -0.879932 2.012932 3.021543 Rho 0.9638739E-01 |GRAD(Rho)| 0.2037671E-12 GRAD(Rho)x 0.1541975E-12 GRAD(Rho)y 0.1055931E-12 GRAD(Rho)z -0.8120517E-13 Laplacian 0.3998943E+00 (-1/4)Del**2(Rho)) -0.9997358E-01 Diamond 0.4913113E+00 Metallicity 0.3491684E+01 Ellipticity 0.5323351E-02 Gb(Abramov) 0.1248284E+00 Vb(Abramov) -0.1496833E+00 Hb(Abramov) -0.2485484E-01 Ex_ueg -0.3263964E-01 Ec_ueg -0.5106737E-02 Delta_ex -0.3891855E-01 Delta_ec 0.1174027E-01 Delta_et -0.1453369E+00 Pxc 0.6391486E+01 Qxc -0.3314962E+01 3,-1 108 3 +1 -1.029632 2.206082 1.454777 Rho 0.2490438E-01 |GRAD(Rho)| 0.2265798E-15 GRAD(Rho)x 0.1046272E-15 GRAD(Rho)y 0.8383904E-16 GRAD(Rho)z 0.1826542E-15 Laplacian 0.9431319E-01 (-1/4)Del**2(Rho)) -0.2357830E-01 Diamond 0.1037554E-01 Metallicity 0.1551792E+01 Ellipticity -0.2247874E+01 Gb(Abramov) 0.2181697E-01 Vb(Abramov) -0.2005564E-01 Hb(Abramov) 0.1761328E-02 Ex_ueg -0.5371382E-02 Ec_ueg -0.1083901E-02 Delta_ex -0.5652942E-02 Delta_ec 0.1231152E-02 Delta_et -0.1094407E-01 Pxc 0.4955602E+01 Qxc -0.4591588E+01 3,+1 109 3 +3 1.161859 1.132075 1.142419 Rho 0.4637447E-02 |GRAD(Rho)| 0.3923859E-12 GRAD(Rho)x 0.3915139E-12 GRAD(Rho)y 0.1906856E-13 GRAD(Rho)z 0.1788687E-13 Laplacian 0.1641591E-01 (-1/4)Del**2(Rho)) -0.4103977E-02 Diamond 0.9937086E-04 Metallicity 0.5413521E+00 Ellipticity -0.7980594E-01 Gb(Abramov) 0.3106268E-02 Vb(Abramov) -0.2108558E-02 Hb(Abramov) 0.9977096E-03 Ex_ueg -0.5711590E-03 Ec_ueg -0.1313442E-03 Delta_ex -0.5513076E-03 Delta_ec 0.6490294E-04 Delta_et -0.5287332E-03 Pxc 0.4348567E+01 Qxc -0.8494339E+01 3,+3 110 3 +1 1.412652 -1.083697 2.226570 Rho 0.2380540E-01 |GRAD(Rho)| 0.5589306E-14 GRAD(Rho)x 0.4243042E-14 GRAD(Rho)y 0.2873538E-14 GRAD(Rho)z 0.2231529E-14 Laplacian 0.8748061E-01 (-1/4)Del**2(Rho)) -0.2187015E-01 Diamond 0.1015562E-01 Metallicity 0.1551770E+01 Ellipticity -0.3393831E+01 Gb(Abramov) 0.2023634E-01 Vb(Abramov) -0.1860253E-01 Hb(Abramov) 0.1633811E-02 Ex_ueg -0.5057693E-02 Ec_ueg -0.1028758E-02 Delta_ex -0.5307612E-02 Delta_ec 0.1372659E-02 Delta_et -0.1200162E-01 Pxc 0.4916309E+01 Qxc -0.3866664E+01 3,+1 111 3 +3 1.985083 -1.998774 1.998962 Rho 0.1123583E-01 |GRAD(Rho)| 0.1700173E-16 GRAD(Rho)x 0.2749050E-18 GRAD(Rho)y 0.1664661E-16 GRAD(Rho)z 0.3445809E-17 Laplacian 0.4437418E-01 (-1/4)Del**2(Rho)) -0.1109355E-01 Diamond 0.9383680E-03 Metallicity 0.8753028E+00 Ellipticity -0.9368204E+00 Gb(Abramov) 0.9014065E-02 Vb(Abramov) -0.6934585E-02 Hb(Abramov) 0.2079480E-02 Ex_ueg -0.1858626E-02 Ec_ueg -0.4244083E-03 Delta_ex -0.1927222E-02 Delta_ec 0.1893799E-03 Delta_et -0.1704404E-02 Pxc 0.4379336E+01 Qxc -0.1017648E+02 3,+3 112 3 +1 -0.141645 -0.130119 -2.994608 Rho 0.5272694E-02 |GRAD(Rho)| 0.1975488E-17 GRAD(Rho)x 0.1347867E-17 GRAD(Rho)y -0.3961636E-18 GRAD(Rho)z -0.1388835E-17 Laplacian 0.2068242E-01 (-1/4)Del**2(Rho)) -0.5170605E-02 Diamond 0.5244085E-03 Metallicity 0.5321892E+00 Ellipticity -0.5781772E+01 Gb(Abramov) 0.3905694E-02 Vb(Abramov) -0.2640782E-02 Hb(Abramov) 0.1264912E-02 Ex_ueg -0.6777900E-03 Ec_ueg -0.1586667E-03 Delta_ex -0.1044476E-02 Delta_ec 0.6611546E-03 Delta_et -0.3644344E-02 Pxc 0.4271784E+01 Qxc -0.1579775E+01 3,+1 113 3 +1 -1.030837 -1.452825 -2.205302 Rho 0.2487580E-01 |GRAD(Rho)| 0.3947649E-13 GRAD(Rho)x 0.2438576E-13 GRAD(Rho)y -0.2868451E-13 GRAD(Rho)z -0.1187125E-13 Laplacian 0.9417816E-01 (-1/4)Del**2(Rho)) -0.2354454E-01 Diamond 0.1035194E-01 Metallicity 0.1551046E+01 Ellipticity -0.2250635E+01 Gb(Abramov) 0.2178280E-01 Vb(Abramov) -0.2002107E-01 Hb(Abramov) 0.1761737E-02 Ex_ueg -0.5363163E-02 Ec_ueg -0.1082463E-02 Delta_ex -0.5643899E-02 Delta_ec 0.1230897E-02 Delta_et -0.1093859E-01 Pxc 0.4954594E+01 Qxc -0.4585192E+01 3,+1 114 3 -1 -0.572207 -1.837816 2.821954 Rho 0.9661538E-01 |GRAD(Rho)| 0.1972608E-15 GRAD(Rho)x -0.1505211E-15 GRAD(Rho)y 0.1205091E-15 GRAD(Rho)z -0.4162659E-16 Laplacian 0.4218988E+00 (-1/4)Del**2(Rho)) -0.1054747E+00 Diamond 0.5240915E+00 Metallicity 0.3322630E+01 Ellipticity 0.1677777E-01 Gb(Abramov) 0.1287254E+00 Vb(Abramov) -0.1519760E+00 Hb(Abramov) -0.2325067E-01 Ex_ueg -0.3274262E-01 Ec_ueg -0.5120484E-02 Delta_ex -0.4115869E-01 Delta_ec 0.1251639E-01 Delta_et -0.1551717E+00 Pxc 0.6394439E+01 Qxc -0.3288385E+01 3,-1 115 3 -1 2.201813 1.256285 -1.255899 Rho 0.2526903E-01 |GRAD(Rho)| 0.4062260E-16 GRAD(Rho)x -0.3623574E-16 GRAD(Rho)y -0.1195143E-16 GRAD(Rho)z 0.1394026E-16 Laplacian 0.9743832E-01 (-1/4)Del**2(Rho)) -0.2435958E-01 Diamond 0.1506329E-01 Metallicity 0.1538855E+01 Ellipticity 0.1057986E+02 Gb(Abramov) 0.2248736E-01 Vb(Abramov) -0.2061515E-01 Hb(Abramov) 0.1872217E-02 Ex_ueg -0.5476501E-02 Ec_ueg -0.1102269E-02 Delta_ex -0.6305570E-02 Delta_ec 0.2060669E-02 Delta_et -0.1814621E-01 Pxc 0.4968389E+01 Qxc -0.3059963E+01 3,-1 116 3 -1 -0.561513 2.782613 -1.819873 Rho 0.1222559E+00 |GRAD(Rho)| 0.1529144E-15 GRAD(Rho)x 0.8685815E-16 GRAD(Rho)y -0.1191165E-15 GRAD(Rho)z -0.4061692E-16 Laplacian 0.5107351E+00 (-1/4)Del**2(Rho)) -0.1276838E+00 Diamond 0.8087696E+00 Metallicity 0.4063192E+01 Ellipticity 0.8051355E-02 Gb(Abramov) 0.1715898E+00 Vb(Abramov) -0.2154958E+00 Hb(Abramov) -0.4390603E-01 Ex_ueg -0.4481379E-01 Ec_ueg -0.6691944E-02 Delta_ex -0.5218507E-01 Delta_ec 0.1359717E-01 Delta_et -0.1753007E+00 Pxc 0.6696677E+01 Qxc -0.3837935E+01 3,-1 117 3 +1 -0.138059 2.997094 0.126915 Rho 0.5274165E-02 |GRAD(Rho)| 0.2297388E-15 GRAD(Rho)x -0.1699923E-15 GRAD(Rho)y 0.4869755E-17 GRAD(Rho)z 0.1544630E-15 Laplacian 0.2066694E-01 (-1/4)Del**2(Rho)) -0.5166736E-02 Diamond 0.5283514E-03 Metallicity 0.5328355E+00 Ellipticity -0.6756483E+01 Gb(Abramov) 0.3903327E-02 Vb(Abramov) -0.2639918E-02 Hb(Abramov) 0.1263409E-02 Ex_ueg -0.6780421E-03 Ec_ueg -0.1587303E-03 Delta_ex -0.1047329E-02 Delta_ec 0.6670500E-03 Delta_et -0.3674619E-02 Pxc 0.4271663E+01 Qxc -0.1570091E+01 3,+1 118 3 -1 -0.871358 3.032568 1.998632 Rho 0.9449509E-01 |GRAD(Rho)| 0.3642201E-12 GRAD(Rho)x 0.1610794E-12 GRAD(Rho)y 0.3196892E-12 GRAD(Rho)z 0.6714521E-13 Laplacian 0.3927733E+00 (-1/4)Del**2(Rho)) -0.9819334E-01 Diamond 0.4716100E+00 Metallicity 0.3439431E+01 Ellipticity 0.3287325E-02 Gb(Abramov) 0.1217504E+00 Vb(Abramov) -0.1453075E+00 Hb(Abramov) -0.2355709E-01 Ex_ueg -0.3178806E-01 Ec_ueg -0.4992808E-02 Delta_ex -0.3806103E-01 Delta_ec 0.1159539E-01 Delta_et -0.1429616E+00 Pxc 0.6366770E+01 Qxc -0.3282429E+01 3,-1 119 3 +1 1.459529 1.014462 -2.214948 Rho 0.2378590E-01 |GRAD(Rho)| 0.5454963E-16 GRAD(Rho)x -0.1270880E-17 GRAD(Rho)y 0.8020012E-18 GRAD(Rho)z -0.5452893E-16 Laplacian 0.8981421E-01 (-1/4)Del**2(Rho)) -0.2245355E-01 Diamond 0.9052209E-02 Metallicity 0.1509387E+01 Ellipticity -0.2101555E+01 Gb(Abramov) 0.2061755E-01 Vb(Abramov) -0.1878155E-01 Hb(Abramov) 0.1836001E-02 Ex_ueg -0.5052167E-02 Ec_ueg -0.1027782E-02 Delta_ex -0.5289857E-02 Delta_ec 0.1126938E-02 Delta_et -0.9932522E-02 Pxc 0.4915601E+01 Qxc -0.4694009E+01 3,+1 120 3 -1 -0.561285 1.818437 -2.781760 Rho 0.1242380E+00 |GRAD(Rho)| 0.1736873E-15 GRAD(Rho)x -0.1550138E-15 GRAD(Rho)y -0.7665309E-16 GRAD(Rho)z 0.1619527E-16 Laplacian 0.5197686E+00 (-1/4)Del**2(Rho)) -0.1299421E+00 Diamond 0.8390501E+00 Metallicity 0.4101040E+01 Ellipticity 0.8363025E-02 Gb(Abramov) 0.1754444E+00 Vb(Abramov) -0.2209467E+00 Hb(Abramov) -0.4550227E-01 Ex_ueg -0.4578513E-01 Ec_ueg -0.6815400E-02 Delta_ex -0.5331178E-01 Delta_ec 0.1378327E-01 Delta_et -0.1781830E+00 Pxc 0.6717893E+01 Qxc -0.3867861E+01 3,-1 121 3 +1 2.197734 1.395813 -1.111641 Rho 0.2520114E-01 |GRAD(Rho)| 0.3062158E-13 GRAD(Rho)x 0.1491469E-13 GRAD(Rho)y 0.2148742E-13 GRAD(Rho)z 0.1592244E-13 Laplacian 0.9478419E-01 (-1/4)Del**2(Rho)) -0.2369605E-01 Diamond 0.1298583E-01 Metallicity 0.1574868E+01 Ellipticity -0.6393609E+01 Gb(Abramov) 0.2201706E-01 Vb(Abramov) -0.2033807E-01 Hb(Abramov) 0.1678990E-02 Ex_ueg -0.5456891E-02 Ec_ueg -0.1098847E-02 Delta_ex -0.5956221E-02 Delta_ec 0.1695051E-02 Delta_et -0.1497227E-01 Pxc 0.4966017E+01 Qxc -0.3513889E+01 3,+1 122 3 +3 0.018277 -0.006384 -2.339310 Rho 0.4353502E-02 |GRAD(Rho)| 0.2718083E-17 GRAD(Rho)x -0.1659111E-17 GRAD(Rho)y 0.5069604E-18 GRAD(Rho)z -0.2092443E-17 Laplacian 0.1743179E-01 (-1/4)Del**2(Rho)) -0.4357947E-02 Diamond 0.1357272E-03 Metallicity 0.4588484E+00 Ellipticity -0.3056399E+00 Gb(Abramov) 0.3238570E-02 Vb(Abramov) -0.2119194E-02 Hb(Abramov) 0.1119376E-02 Ex_ueg -0.5250130E-03 Ec_ueg -0.1191983E-03 Delta_ex -0.6187386E-03 Delta_ec 0.1465784E-03 Delta_et -0.9283415E-03 Pxc 0.4404533E+01 Qxc -0.4221212E+01 3,+3 123 3 +3 0.025554 -2.391947 0.022891 Rho 0.4080266E-02 |GRAD(Rho)| 0.6704401E-17 GRAD(Rho)x -0.3177391E-17 GRAD(Rho)y 0.4347326E-17 GRAD(Rho)z 0.3994238E-17 Laplacian 0.1611072E-01 (-1/4)Del**2(Rho)) -0.4027681E-02 Diamond 0.1206655E-03 Metallicity 0.4456346E+00 Ellipticity -0.3225949E+00 Gb(Abramov) 0.2984266E-02 Vb(Abramov) -0.1940851E-02 Hb(Abramov) 0.1043415E-02 Ex_ueg -0.4815444E-03 Ec_ueg -0.1075502E-03 Delta_ex -0.5694506E-03 Delta_ec 0.1480509E-03 Delta_et -0.9041061E-03 Pxc 0.4477393E+01 Qxc -0.3846317E+01 3,+3 124 3 -1 -0.572751 -2.826327 1.837096 Rho 0.9610032E-01 |GRAD(Rho)| 0.1893235E-15 GRAD(Rho)x -0.1851411E-15 GRAD(Rho)y -0.1682716E-16 GRAD(Rho)z 0.3581933E-16 Laplacian 0.4196178E+00 (-1/4)Del**2(Rho)) -0.1049044E+00 Diamond 0.5179892E+00 Metallicity 0.3311063E+01 Ellipticity 0.1667550E-01 Gb(Abramov) 0.1278272E+00 Vb(Abramov) -0.1507499E+00 Hb(Abramov) -0.2292271E-01 Ex_ueg -0.3251009E-01 Ec_ueg -0.5089435E-02 Delta_ex -0.4088771E-01 Delta_ec 0.1246561E-01 Delta_et -0.1543709E+00 Pxc 0.6387760E+01 Qxc -0.3280040E+01 3,-1 125 3 -1 -0.073529 3.000188 0.061819 Rho 0.5276192E-02 |GRAD(Rho)| 0.6864019E-17 GRAD(Rho)x -0.6093737E-17 GRAD(Rho)y -0.1007348E-17 GRAD(Rho)z -0.2994391E-17 Laplacian 0.2046763E-01 (-1/4)Del**2(Rho)) -0.5116907E-02 Diamond 0.5621390E-03 Metallicity 0.5383689E+00 Ellipticity 0.6683983E+01 Gb(Abramov) 0.3870402E-02 Vb(Abramov) -0.2623897E-02 Hb(Abramov) 0.1246505E-02 Ex_ueg -0.6783896E-03 Ec_ueg -0.1588178E-03 Delta_ex -0.1070680E-02 Delta_ec 0.7202031E-03 Delta_et -0.3944529E-02 Pxc 0.4271497E+01 Qxc -0.1486636E+01 3,-1 126 3 +1 0.153027 3.012043 -0.166414 Rho 0.5215376E-02 |GRAD(Rho)| 0.7406995E-17 GRAD(Rho)x -0.4553840E-17 GRAD(Rho)y 0.1271033E-18 GRAD(Rho)z -0.5840373E-17 Laplacian 0.2064627E-01 (-1/4)Del**2(Rho)) -0.5161566E-02 Diamond 0.4712953E-03 Metallicity 0.5234972E+00 Ellipticity -0.2525090E+01 Gb(Abramov) 0.3891389E-02 Vb(Abramov) -0.2621211E-02 Hb(Abramov) 0.1270178E-02 Ex_ueg -0.6679838E-03 Ec_ueg -0.1561931E-03 Delta_ex -0.1001335E-02 Delta_ec 0.5901647E-03 Delta_et -0.3270051E-02 Pxc 0.4276655E+01 Qxc -0.1696705E+01 3,+1 127 3 -1 -0.465090 -0.481269 -0.467898 Rho 0.1794514E+00 |GRAD(Rho)| 0.5170511E-12 GRAD(Rho)x 0.3084720E-12 GRAD(Rho)y 0.2922801E-12 GRAD(Rho)z 0.2945491E-12 Laplacian 0.4712582E+00 (-1/4)Del**2(Rho)) -0.1178145E+00 Diamond 0.1209089E+01 Metallicity 0.8348320E+01 Ellipticity 0.3705220E-02 Gb(Abramov) 0.2424686E+00 Vb(Abramov) -0.3671227E+00 Hb(Abramov) -0.1246541E+00 Ex_ueg -0.7475626E-01 Ec_ueg -0.1035479E-01 Delta_ex -0.5310963E-01 Delta_ec 0.1176708E-01 Delta_et -0.1611578E+00 Pxc 0.7219486E+01 Qxc -0.4513408E+01 3,-1 128 3 +1 1.413042 -2.226109 1.083328 Rho 0.2381589E-01 |GRAD(Rho)| 0.2981401E-16 GRAD(Rho)x 0.4612359E-17 GRAD(Rho)y -0.2897720E-16 GRAD(Rho)z -0.5284245E-17 Laplacian 0.8754216E-01 (-1/4)Del**2(Rho)) -0.2188554E-01 Diamond 0.1017088E-01 Metallicity 0.1551818E+01 Ellipticity -0.3396477E+01 Gb(Abramov) 0.2025075E-01 Vb(Abramov) -0.1861597E-01 Hb(Abramov) 0.1634786E-02 Ex_ueg -0.5060664E-02 Ec_ueg -0.1029283E-02 Delta_ex -0.5312201E-02 Delta_ec 0.1374025E-02 Delta_et -0.1201472E-01 Pxc 0.4916690E+01 Qxc -0.3866160E+01 3,+1 129 3 -1 -0.464305 0.468988 0.481029 Rho 0.1794651E+00 |GRAD(Rho)| 0.6096264E-15 GRAD(Rho)x 0.5516421E-15 GRAD(Rho)y -0.1283695E-15 GRAD(Rho)z -0.2255141E-15 Laplacian 0.4713401E+00 (-1/4)Del**2(Rho)) -0.1178350E+00 Diamond 0.1209431E+01 Metallicity 0.8347928E+01 Ellipticity 0.3718827E-02 Gb(Abramov) 0.2425031E+00 Vb(Abramov) -0.3671711E+00 Hb(Abramov) -0.1246680E+00 Ex_ueg -0.7476385E-01 Ec_ueg -0.1035569E-01 Delta_ex -0.5312004E-01 Delta_ec 0.1176919E-01 Delta_et -0.1611890E+00 Pxc 0.7219592E+01 Qxc -0.4513483E+01 3,-1 130 3 +3 0.027047 -0.019803 2.392508 Rho 0.4077543E-02 |GRAD(Rho)| 0.4833331E-17 GRAD(Rho)x 0.2983769E-17 GRAD(Rho)y 0.1871493E-17 GRAD(Rho)z 0.3309944E-17 Laplacian 0.1609737E-01 (-1/4)Del**2(Rho)) -0.4024343E-02 Diamond 0.1208385E-03 Metallicity 0.4455082E+00 Ellipticity -0.3195251E+00 Gb(Abramov) 0.2981709E-02 Vb(Abramov) -0.1939074E-02 Hb(Abramov) 0.1042635E-02 Ex_ueg -0.4811160E-03 Ec_ueg -0.1074343E-03 Delta_ex -0.5693483E-03 Delta_ec 0.1487595E-03 Delta_et -0.9071147E-03 Pxc 0.4478235E+01 Qxc -0.3827308E+01 3,+3 131 3 -1 0.062415 3.265782 3.259230 Rho 0.2037461E+00 |GRAD(Rho)| 0.4491639E-08 GRAD(Rho)x -0.5122697E-09 GRAD(Rho)y -0.3165912E-08 GRAD(Rho)z -0.3144743E-08 Laplacian 0.7675929E+00 (-1/4)Del**2(Rho)) -0.1918982E+00 Diamond 0.2233012E+01 Metallicity 0.6333315E+01 Ellipticity 0.1516191E-02 Gb(Abramov) 0.3304908E+00 Vb(Abramov) -0.4690834E+00 Hb(Abramov) -0.1385926E+00 Ex_ueg -0.8854638E-01 Ec_ueg -0.1196910E-01 Delta_ex -0.8891791E-01 Delta_ec 0.1781268E-01 Delta_et -0.2446799E+00 Pxc 0.7397916E+01 Qxc -0.4991831E+01 3,-1 132 3 +1 1.727750 -0.581864 -0.569083 Rho 0.7361576E-02 |GRAD(Rho)| 0.8389340E-13 GRAD(Rho)x -0.4925408E-13 GRAD(Rho)y -0.2314140E-14 GRAD(Rho)z 0.6787329E-13 Laplacian 0.2683844E-01 (-1/4)Del**2(Rho)) -0.6709610E-02 Diamond 0.5803469E-03 Metallicity 0.7152764E+00 Ellipticity -0.1456409E+01 Gb(Abramov) 0.5272944E-02 Vb(Abramov) -0.3836278E-02 Hb(Abramov) 0.1436666E-02 Ex_ueg -0.1057660E-02 Ec_ueg -0.2499150E-03 Delta_ex -0.1178615E-02 Delta_ec 0.3768057E-03 Delta_et -0.2474740E-02 Pxc 0.4232078E+01 Qxc -0.3127911E+01 3,+1 133 3 -1 -0.092790 3.221077 -3.224537 Rho 0.2299047E+00 |GRAD(Rho)| 0.2250520E-14 GRAD(Rho)x 0.1342351E-14 GRAD(Rho)y 0.1805468E-14 GRAD(Rho)z 0.5675798E-16 Laplacian 0.8479746E+00 (-1/4)Del**2(Rho)) -0.2119936E+00 Diamond 0.2847206E+01 Metallicity 0.7011484E+01 Ellipticity 0.2953065E-03 Gb(Abramov) 0.3890608E+00 Vb(Abramov) -0.5661279E+00 Hb(Abramov) -0.1770671E+00 Ex_ueg -0.1040197E+00 Ec_ueg -0.1374404E-01 Delta_ex -0.1013080E+00 Delta_ec 0.1896339E-01 Delta_et -0.2621990E+00 Pxc 0.7568345E+01 Qxc -0.5342295E+01 3,-1 134 3 -1 0.485834 -0.481971 0.482107 Rho 0.1858602E+00 |GRAD(Rho)| 0.4607055E-15 GRAD(Rho)x 0.2983724E-15 GRAD(Rho)y -0.3504141E-15 GRAD(Rho)z 0.2081668E-16 Laplacian 0.5000252E+00 (-1/4)Del**2(Rho)) -0.1250063E+00 Diamond 0.1328307E+01 Metallicity 0.8341908E+01 Ellipticity 0.6517108E-04 Gb(Abramov) 0.2571361E+00 Vb(Abramov) -0.3892658E+00 Hb(Abramov) -0.1321298E+00 Ex_ueg -0.7833702E-01 Ec_ueg -0.1077740E-01 Delta_ex -0.5677618E-01 Delta_ec 0.1224055E-01 Delta_et -0.1679015E+00 Pxc 0.7268642E+01 Qxc -0.4638369E+01 3,-1 135 3 -1 0.481705 0.470124 -0.470551 Rho 0.1831749E+00 |GRAD(Rho)| 0.2078485E-15 GRAD(Rho)x 0.2012279E-15 GRAD(Rho)y -0.3122502E-16 GRAD(Rho)z -0.4163336E-16 Laplacian 0.4869796E+00 (-1/4)Del**2(Rho)) -0.1217449E+00 Diamond 0.1276299E+01 Metallicity 0.8360116E+01 Ellipticity 0.4625207E-02 Gb(Abramov) 0.2507968E+00 Vb(Abramov) -0.3798488E+00 Hb(Abramov) -0.1290519E+00 Ex_ueg -0.7683156E-01 Ec_ueg -0.1060003E-01 Delta_ex -0.5513146E-01 Delta_ec 0.1203592E-01 Delta_et -0.1650468E+00 Pxc 0.7248236E+01 Qxc -0.4580578E+01 3,-1 136 3 +3 2.434029 -0.012714 0.011372 Rho 0.3724117E-02 |GRAD(Rho)| 0.1980951E-16 GRAD(Rho)x -0.1314111E-16 GRAD(Rho)y 0.7725697E-17 GRAD(Rho)z -0.1265076E-16 Laplacian 0.1436463E-01 (-1/4)Del**2(Rho)) -0.3591159E-02 Diamond 0.9539459E-04 Metallicity 0.4292306E+00 Ellipticity -0.2160394E+00 Gb(Abramov) 0.2651012E-02 Vb(Abramov) -0.1710865E-02 Hb(Abramov) 0.9401470E-03 Ex_ueg -0.4263335E-03 Ec_ueg -0.9242643E-04 Delta_ex -0.4966325E-03 Delta_ec 0.1328060E-03 Delta_et -0.7920469E-03 Pxc 0.4612679E+01 Qxc -0.3739533E+01 3,+3 137 3 -1 0.607698 -2.859641 -1.841081 Rho 0.1427819E+00 |GRAD(Rho)| 0.4153380E-15 GRAD(Rho)x -0.1904130E-15 GRAD(Rho)y 0.3316303E-16 GRAD(Rho)z -0.3676259E-15 Laplacian 0.5981103E+00 (-1/4)Del**2(Rho)) -0.1495276E+00 Diamond 0.1161556E+01 Metallicity 0.4493871E+01 Ellipticity 0.1445168E-01 Gb(Abramov) 0.2116780E+00 Vb(Abramov) -0.2738284E+00 Hb(Abramov) -0.6215042E-01 Ex_ueg -0.5511664E-01 Ec_ueg -0.7983067E-02 Delta_ex -0.6366422E-01 Delta_ec 0.1572582E-01 Delta_et -0.2086500E+00 Pxc 0.6904194E+01 Qxc -0.4048387E+01 3,-1 138 3 +1 1.805096 -1.810362 -1.822840 Rho 0.1092948E-01 |GRAD(Rho)| 0.6945630E-16 GRAD(Rho)x 0.1579847E-16 GRAD(Rho)y -0.4327356E-16 GRAD(Rho)z 0.5198063E-16 Laplacian 0.4817321E-01 (-1/4)Del**2(Rho)) -0.1204330E-01 Diamond 0.1554664E-02 Metallicity 0.7699690E+00 Ellipticity -0.1260387E+01 Gb(Abramov) 0.9574364E-02 Vb(Abramov) -0.7105424E-02 Hb(Abramov) 0.2468939E-02 Ex_ueg -0.1791366E-02 Ec_ueg -0.4103782E-03 Delta_ex -0.2263472E-02 Delta_ec 0.5413514E-03 Delta_et -0.4034658E-02 Pxc 0.4365158E+01 Qxc -0.4181151E+01 3,+1 139 3 -1 0.892459 -3.092435 2.033848 Rho 0.1394095E+00 |GRAD(Rho)| 0.3052807E-15 GRAD(Rho)x -0.2209875E-15 GRAD(Rho)y -0.1241411E-16 GRAD(Rho)z 0.2102539E-15 Laplacian 0.5582410E+00 (-1/4)Del**2(Rho)) -0.1395603E+00 Diamond 0.1054715E+01 Metallicity 0.4626776E+01 Ellipticity 0.2358181E-01 Gb(Abramov) 0.2006592E+00 Vb(Abramov) -0.2617581E+00 Hb(Abramov) -0.6109891E-01 Ex_ueg -0.5338772E-01 Ec_ueg -0.7769052E-02 Delta_ex -0.5909086E-01 Delta_ec 0.1478752E-01 Delta_et -0.1955268E+00 Pxc 0.6871844E+01 Qxc -0.3995996E+01 3,-1 140 3 -1 2.888347 -1.878820 -0.594013 Rho 0.1189006E+00 |GRAD(Rho)| 0.2416336E-15 GRAD(Rho)x -0.3003240E-16 GRAD(Rho)y -0.2397578E-15 GRAD(Rho)z -0.1043545E-17 Laplacian 0.5046981E+00 (-1/4)Del**2(Rho)) -0.1261745E+00 Diamond 0.7955378E+00 Metallicity 0.3925440E+01 Ellipticity 0.2226701E-01 Gb(Abramov) 0.1666648E+00 Vb(Abramov) -0.2071550E+00 Hb(Abramov) -0.4049025E-01 Ex_ueg -0.4318145E-01 Ec_ueg -0.6483574E-02 Delta_ex -0.5153407E-01 Delta_ec 0.1407280E-01 Delta_et -0.1814509E+00 Pxc 0.6660131E+01 Qxc -0.3661963E+01 3,-1 141 3 -1 0.839181 2.028680 -3.053436 Rho 0.1701614E+00 |GRAD(Rho)| 0.6172006E-13 GRAD(Rho)x -0.5878124E-13 GRAD(Rho)y -0.1809262E-13 GRAD(Rho)z 0.5175805E-14 Laplacian 0.6595277E+00 (-1/4)Del**2(Rho)) -0.1648819E+00 Diamond 0.1547764E+01 Metallicity 0.5459447E+01 Ellipticity 0.4583917E-01 Gb(Abramov) 0.2599486E+00 Vb(Abramov) -0.3550154E+00 Hb(Abramov) -0.9506672E-01 Ex_ueg -0.6964125E-01 Ec_ueg -0.9746393E-02 Delta_ex -0.7301420E-01 Delta_ec 0.1609753E-01 Delta_et -0.2174689E+00 Pxc 0.7145336E+01 Qxc -0.4535739E+01 3,-1 142 3 -1 0.551772 1.740668 -1.742927 Rho 0.4590969E-01 |GRAD(Rho)| 0.6478704E-14 GRAD(Rho)x 0.2210765E-14 GRAD(Rho)y 0.5902857E-14 GRAD(Rho)z -0.1497465E-14 Laplacian 0.1842903E+00 (-1/4)Del**2(Rho)) -0.4607256E-01 Diamond 0.8262414E-01 Metallicity 0.2200990E+01 Ellipticity 0.1724438E-01 Gb(Abramov) 0.4761592E-01 Vb(Abramov) -0.4915927E-01 Hb(Abramov) -0.1543353E-02 Ex_ueg -0.1214109E-01 Ec_ueg -0.2190056E-02 Delta_ex -0.1482067E-01 Delta_ec 0.5445989E-02 Delta_et -0.5614256E-01 Pxc 0.5543733E+01 Qxc -0.2721391E+01 3,-1 143 3 +1 1.803947 1.823583 1.811759 Rho 0.1092755E-01 |GRAD(Rho)| 0.1331541E-16 GRAD(Rho)x -0.1138530E-16 GRAD(Rho)y -0.1094395E-17 GRAD(Rho)z 0.6817431E-17 Laplacian 0.4814686E-01 (-1/4)Del**2(Rho)) -0.1203671E-01 Diamond 0.1553326E-02 Metallicity 0.7701642E+00 Ellipticity -0.1260759E+01 Gb(Abramov) 0.9569518E-02 Vb(Abramov) -0.7102321E-02 Hb(Abramov) 0.2467197E-02 Ex_ueg -0.1790945E-02 Ec_ueg -0.4102902E-03 Delta_ex -0.2262090E-02 Delta_ec 0.5409901E-03 Delta_et -0.4031859E-02 Pxc 0.4365069E+01 Qxc -0.4181390E+01 3,+1 144 3 -1 0.609023 1.842388 2.861992 Rho 0.1426874E+00 |GRAD(Rho)| 0.7083156E-09 GRAD(Rho)x 0.4521695E-09 GRAD(Rho)y -0.5095589E-09 GRAD(Rho)z 0.1939161E-09 Laplacian 0.5976594E+00 (-1/4)Del**2(Rho)) -0.1494148E+00 Diamond 0.1159684E+01 Metallicity 0.4492303E+01 Ellipticity 0.1442093E-01 Gb(Abramov) 0.2114794E+00 Vb(Abramov) -0.2735439E+00 Hb(Abramov) -0.6206451E-01 Ex_ueg -0.5506801E-01 Ec_ueg -0.7977061E-02 Delta_ex -0.6360520E-01 Delta_ec 0.1571509E-01 Delta_et -0.2084836E+00 Pxc 0.6903296E+01 Qxc -0.4047396E+01 3,-1 145 3 +1 2.001829 2.034324 -2.035582 Rho 0.1141660E-01 |GRAD(Rho)| 0.1654466E-16 GRAD(Rho)x -0.1500947E-16 GRAD(Rho)y -0.2599370E-17 GRAD(Rho)z -0.6456397E-17 Laplacian 0.4916705E-01 (-1/4)Del**2(Rho)) -0.1229176E-01 Diamond 0.1331228E-02 Metallicity 0.8112727E+00 Ellipticity -0.1072067E+01 Gb(Abramov) 0.9856504E-02 Vb(Abramov) -0.7421245E-02 Hb(Abramov) 0.2435259E-02 Ex_ueg -0.1898602E-02 Ec_ueg -0.4327045E-03 Delta_ex -0.2228143E-02 Delta_ec 0.3576421E-03 Delta_et -0.2870303E-02 Pxc 0.4387757E+01 Qxc -0.6230091E+01 3,+1 146 3 -1 0.596926 2.868386 1.827027 Rho 0.1401052E+00 |GRAD(Rho)| 0.6390664E-09 GRAD(Rho)x 0.3991564E-09 GRAD(Rho)y 0.1771099E-09 GRAD(Rho)z -0.4665963E-09 Laplacian 0.5857638E+00 (-1/4)Del**2(Rho)) -0.1464410E+00 Diamond 0.1115090E+01 Metallicity 0.4446118E+01 Ellipticity 0.1527019E-01 Gb(Abramov) 0.2061429E+00 Vb(Abramov) -0.2658449E+00 Hb(Abramov) -0.5970198E-01 Ex_ueg -0.5374326E-01 Ec_ueg -0.7813144E-02 Delta_ex -0.6209795E-01 Delta_ec 0.1553183E-01 Delta_et -0.2055974E+00 Pxc 0.6878570E+01 Qxc -0.3998109E+01 3,-1 147 3 -1 0.837788 3.050320 -2.030426 Rho 0.1695801E+00 |GRAD(Rho)| 0.2360318E-11 GRAD(Rho)x 0.1629732E-11 GRAD(Rho)y 0.1122488E-11 GRAD(Rho)z 0.1286507E-11 Laplacian 0.6573525E+00 (-1/4)Del**2(Rho)) -0.1643381E+00 Diamond 0.1536226E+01 Metallicity 0.5446361E+01 Ellipticity 0.4553656E-01 Gb(Abramov) 0.2587329E+00 Vb(Abramov) -0.3531276E+00 Hb(Abramov) -0.9439475E-01 Ex_ueg -0.6932422E-01 Ec_ueg -0.9708490E-02 Delta_ex -0.7271022E-01 Delta_ec 0.1605707E-01 Delta_et -0.2168329E+00 Pxc 0.7140577E+01 Qxc -0.4528236E+01 3,-1 148 3 -1 0.596427 -1.826272 -2.867427 Rho 0.1394969E+00 |GRAD(Rho)| 0.2664545E-15 GRAD(Rho)x -0.1665877E-15 GRAD(Rho)y -0.1918496E-15 GRAD(Rho)z 0.8025129E-16 Laplacian 0.5833523E+00 (-1/4)Del**2(Rho)) -0.1458381E+00 Diamond 0.1104820E+01 Metallicity 0.4432237E+01 Ellipticity 0.1545434E-01 Gb(Abramov) 0.2049569E+00 Vb(Abramov) -0.2640757E+00 Hb(Abramov) -0.5911879E-01 Ex_ueg -0.5343235E-01 Ec_ueg -0.7774590E-02 Delta_ex -0.6177840E-01 Delta_ec 0.1548624E-01 Delta_et -0.2048583E+00 Pxc 0.6872691E+01 Qxc -0.3989245E+01 3,-1 149 3 +1 3.048535 -0.061971 0.061378 Rho 0.4283099E-02 |GRAD(Rho)| 0.3281117E-16 GRAD(Rho)x 0.1006126E-17 GRAD(Rho)y -0.2151651E-16 GRAD(Rho)z 0.2475077E-16 Laplacian 0.1605791E-01 (-1/4)Del**2(Rho)) -0.4014477E-02 Diamond 0.3066969E-03 Metallicity 0.4847536E+00 Ellipticity -0.4208927E+01 Gb(Abramov) 0.3000656E-02 Vb(Abramov) -0.1986836E-02 Hb(Abramov) 0.1013820E-02 Ex_ueg -0.5137232E-03 Ec_ueg -0.1161933E-03 Delta_ex -0.7780591E-03 Delta_ec 0.5108077E-03 Delta_et -0.2645822E-02 Pxc 0.4421282E+01 Qxc -0.1523194E+01 3,+1 150 3 -1 0.568648 -1.758883 1.758463 Rho 0.4211890E-01 |GRAD(Rho)| 0.6713026E-16 GRAD(Rho)x -0.1791877E-16 GRAD(Rho)y 0.1893712E-16 GRAD(Rho)z -0.6186093E-16 Laplacian 0.1803330E+00 (-1/4)Del**2(Rho)) -0.4508325E-01 Diamond 0.7792527E-01 Metallicity 0.1948347E+01 Ellipticity 0.1958767E-01 Gb(Abramov) 0.4469513E-01 Vb(Abramov) -0.4430702E-01 Hb(Abramov) 0.3881141E-03 Ex_ueg -0.1082317E-01 Ec_ueg -0.1984106E-02 Delta_ex -0.1451933E-01 Delta_ec 0.5914131E-02 Delta_et -0.5967749E-01 Pxc 0.5454934E+01 Qxc -0.2455023E+01 3,-1 151 3 -1 0.892097 -2.034918 3.092209 Rho 0.1394695E+00 |GRAD(Rho)| 0.1958295E-13 GRAD(Rho)x 0.8640847E-14 GRAD(Rho)y 0.1545406E-13 GRAD(Rho)z -0.8366585E-14 Laplacian 0.5584499E+00 (-1/4)Del**2(Rho)) -0.1396125E+00 Diamond 0.1055648E+01 Metallicity 0.4628369E+01 Ellipticity 0.2380973E-01 Gb(Abramov) 0.2007713E+00 Vb(Abramov) -0.2619301E+00 Hb(Abramov) -0.6115884E-01 Ex_ueg -0.5341840E-01 Ec_ueg -0.7772859E-02 Delta_ex -0.5911905E-01 Delta_ec 0.1479137E-01 Delta_et -0.1955907E+00 Pxc 0.6872426E+01 Qxc -0.3996861E+01 3,-1 152 3 +1 2.021273 -2.036722 2.036897 Rho 0.1123879E-01 |GRAD(Rho)| 0.2039385E-16 GRAD(Rho)x -0.5315918E-17 GRAD(Rho)y 0.1263527E-16 GRAD(Rho)z -0.1509967E-16 Laplacian 0.4451904E-01 (-1/4)Del**2(Rho)) -0.1112976E-01 Diamond 0.1050183E-02 Metallicity 0.8728373E+00 Ellipticity -0.1053862E+01 Gb(Abramov) 0.9038918E-02 Vb(Abramov) -0.6948076E-02 Hb(Abramov) 0.2090842E-02 Ex_ueg -0.1859279E-02 Ec_ueg -0.4245439E-03 Delta_ex -0.1967849E-02 Delta_ec 0.2510367E-03 Delta_et -0.2111924E-02 Pxc 0.4379473E+01 Qxc -0.7838890E+01 3,+1 153 3 +3 1.164025 -1.140482 -1.131395 Rho 0.4640161E-02 |GRAD(Rho)| 0.4949555E-14 GRAD(Rho)x -0.2766327E-14 GRAD(Rho)y 0.2907134E-14 GRAD(Rho)z 0.2897257E-14 Laplacian 0.1642595E-01 (-1/4)Del**2(Rho)) -0.4106489E-02 Diamond 0.9948136E-04 Metallicity 0.5415489E+00 Ellipticity -0.7654483E-01 Gb(Abramov) 0.3108303E-02 Vb(Abramov) -0.2110118E-02 Hb(Abramov) 0.9981855E-03 Ex_ueg -0.5716047E-03 Ec_ueg -0.1314605E-03 Delta_ex -0.5517040E-03 Delta_ec 0.6488774E-04 Delta_et -0.5288383E-03 Pxc 0.4348111E+01 Qxc -0.8502438E+01 3,+3 154 3 -1 1.863425 0.578562 2.881205 Rho 0.1143259E+00 |GRAD(Rho)| 0.1984487E-15 GRAD(Rho)x 0.3253962E-16 GRAD(Rho)y -0.1879600E-15 GRAD(Rho)z -0.5471833E-16 Laplacian 0.4846582E+00 (-1/4)Del**2(Rho)) -0.1211645E+00 Diamond 0.7290912E+00 Metallicity 0.3829002E+01 Ellipticity 0.2815975E-01 Gb(Abramov) 0.1580996E+00 Vb(Abramov) -0.1950346E+00 Hb(Abramov) -0.3693504E-01 Ex_ueg -0.4098058E-01 Ec_ueg -0.6200755E-02 Delta_ex -0.4903796E-01 Delta_ec 0.1364446E-01 Delta_et -0.1746671E+00 Pxc 0.6608967E+01 Qxc -0.3593982E+01 3,-1 155 3 +3 1.959179 1.985254 -1.986608 Rho 0.1141040E-01 |GRAD(Rho)| 0.1504609E-16 GRAD(Rho)x 0.1319749E-16 GRAD(Rho)y 0.5296790E-17 GRAD(Rho)z 0.4914805E-17 Laplacian 0.4893167E-01 (-1/4)Del**2(Rho)) -0.1223292E-01 Diamond 0.1164615E-02 Metallicity 0.8144373E+00 Ellipticity -0.9113590E+00 Gb(Abramov) 0.9815768E-02 Vb(Abramov) -0.7398620E-02 Hb(Abramov) 0.2417148E-02 Ex_ueg -0.1897227E-02 Ec_ueg -0.4324196E-03 Delta_ex -0.2167922E-02 Delta_ec 0.2680607E-03 Delta_et -0.2274769E-02 Pxc 0.4387467E+01 Qxc -0.8087427E+01 3,+3 156 3 -1 1.769910 1.742847 -0.514567 Rho 0.3882087E-01 |GRAD(Rho)| 0.3705741E-16 GRAD(Rho)x -0.3169047E-16 GRAD(Rho)y -0.1903029E-16 GRAD(Rho)z 0.2610344E-17 Laplacian 0.1648178E+00 (-1/4)Del**2(Rho)) -0.4120444E-01 Diamond 0.6381390E-01 Metallicity 0.1860878E+01 Ellipticity 0.2830731E-01 Gb(Abramov) 0.4024903E-01 Vb(Abramov) -0.3929362E-01 Hb(Abramov) 0.9554074E-03 Ex_ueg -0.9708200E-02 Ec_ueg -0.1806958E-02 Delta_ex -0.1301355E-01 Delta_ec 0.5414097E-02 Delta_et -0.5342066E-01 Pxc 0.5372677E+01 Qxc -0.2403641E+01 3,-1 157 3 +1 1.459020 2.213479 -1.014702 Rho 0.2384186E-01 |GRAD(Rho)| 0.1635956E-15 GRAD(Rho)x 0.1132555E-15 GRAD(Rho)y -0.3995503E-16 GRAD(Rho)z 0.1110870E-15 Laplacian 0.9009413E-01 (-1/4)Del**2(Rho)) -0.2252353E-01 Diamond 0.9117132E-02 Metallicity 0.1510603E+01 Ellipticity -0.2104898E+01 Gb(Abramov) 0.2068637E-01 Vb(Abramov) -0.1884922E-01 Hb(Abramov) 0.1837158E-02 Ex_ueg -0.5068024E-02 Ec_ueg -0.1030582E-02 Delta_ex -0.5310627E-02 Delta_ec 0.1131917E-02 Delta_et -0.9980975E-02 Pxc 0.4917631E+01 Qxc -0.4691709E+01 3,+1 158 3 +1 2.213938 -1.383647 1.125382 Rho 0.2450190E-01 |GRAD(Rho)| 0.8815784E-15 GRAD(Rho)x -0.3451541E-15 GRAD(Rho)y -0.7836858E-15 GRAD(Rho)z 0.2094893E-15 Laplacian 0.9227154E-01 (-1/4)Del**2(Rho)) -0.2306789E-01 Diamond 0.1239362E-01 Metallicity 0.1543636E+01 Ellipticity -0.7547388E+01 Gb(Abramov) 0.2131333E-01 Vb(Abramov) -0.1955877E-01 Hb(Abramov) 0.1754558E-02 Ex_ueg -0.5255952E-02 Ec_ueg -0.1063668E-02 Delta_ex -0.5781144E-02 Delta_ec 0.1696291E-02 Delta_et -0.1486773E-01 Pxc 0.4941345E+01 Qxc -0.3408110E+01 3,+1 159 3 -1 1.774561 -1.768370 0.538603 Rho 0.3778323E-01 |GRAD(Rho)| 0.1055321E-15 GRAD(Rho)x 0.6482513E-16 GRAD(Rho)y -0.7168482E-16 GRAD(Rho)z 0.4237939E-16 Laplacian 0.1607044E+00 (-1/4)Del**2(Rho)) -0.4017611E-01 Diamond 0.5987246E-01 Metallicity 0.1824247E+01 Ellipticity 0.1932931E-01 Gb(Abramov) 0.3899927E-01 Vb(Abramov) -0.3782242E-01 Hb(Abramov) 0.1176844E-02 Ex_ueg -0.9363764E-02 Ec_ueg -0.1751636E-02 Delta_ex -0.1259963E-01 Delta_ec 0.5268439E-02 Delta_et -0.5159428E-01 Pxc 0.5345724E+01 Qxc -0.2391530E+01 3,-1 160 3 -1 1.848537 2.866919 0.583463 Rho 0.1191574E+00 |GRAD(Rho)| 0.4373444E-15 GRAD(Rho)x 0.4154663E-15 GRAD(Rho)y -0.1221218E-15 GRAD(Rho)z -0.6118966E-16 Laplacian 0.5065291E+00 (-1/4)Del**2(Rho)) -0.1266323E+00 Diamond 0.7989420E+00 Metallicity 0.3925339E+01 Ellipticity 0.2225784E-01 Gb(Abramov) 0.1672673E+00 Vb(Abramov) -0.2079023E+00 Hb(Abramov) -0.4063501E-01 Ex_ueg -0.4330584E-01 Ec_ueg -0.6499493E-02 Delta_ex -0.5172631E-01 Delta_ec 0.1407926E-01 Delta_et -0.1815468E+00 Pxc 0.6662956E+01 Qxc -0.3673936E+01 3,-1 161 3 -1 1.997270 3.047876 -0.865366 Rho 0.9033190E-01 |GRAD(Rho)| 0.1708401E-15 GRAD(Rho)x 0.1093350E-15 GRAD(Rho)y -0.9923838E-16 GRAD(Rho)z -0.8592980E-16 Laplacian 0.3752653E+00 (-1/4)Del**2(Rho)) -0.9381633E-01 Diamond 0.4274725E+00 Metallicity 0.3339463E+01 Ellipticity 0.6968644E-02 Gb(Abramov) 0.1147602E+00 Vb(Abramov) -0.1357042E+00 Hb(Abramov) -0.2094392E-01 Ex_ueg -0.2993459E-01 Ec_ueg -0.4743214E-02 Delta_ex -0.3600811E-01 Delta_ec 0.1121104E-01 Delta_et -0.1369210E+00 Pxc 0.6311034E+01 Qxc -0.3211844E+01 3,-1 162 3 -1 3.058861 2.047959 -0.879684 Rho 0.1256518E+00 |GRAD(Rho)| 0.2174623E-15 GRAD(Rho)x -0.1493082E-15 GRAD(Rho)y -0.1475599E-15 GRAD(Rho)z 0.5677154E-16 Laplacian 0.5093213E+00 (-1/4)Del**2(Rho)) -0.1273303E+00 Diamond 0.8522944E+00 Metallicity 0.4264839E+01 Ellipticity 0.1011382E-01 Gb(Abramov) 0.1753941E+00 Vb(Abramov) -0.2234579E+00 Hb(Abramov) -0.4806379E-01 Ex_ueg -0.4648114E-01 Ec_ueg -0.6903624E-02 Delta_ex -0.5262000E-01 Delta_ec 0.1389471E-01 Delta_et -0.1807174E+00 Pxc 0.6732861E+01 Qxc -0.3787052E+01 3,-1 163 3 -1 1.770285 0.513356 -1.742980 Rho 0.3883053E-01 |GRAD(Rho)| 0.4775064E-14 GRAD(Rho)x 0.3265018E-14 GRAD(Rho)y -0.1520752E-14 GRAD(Rho)z -0.3134997E-14 Laplacian 0.1648170E+00 (-1/4)Del**2(Rho)) -0.4120426E-01 Diamond 0.6383789E-01 Metallicity 0.1861659E+01 Ellipticity 0.2899869E-01 Gb(Abramov) 0.4025421E-01 Vb(Abramov) -0.3930417E-01 Hb(Abramov) 0.9500427E-03 Ex_ueg -0.9711423E-02 Ec_ueg -0.1807474E-02 Delta_ex -0.1301444E-01 Delta_ec 0.5414357E-02 Delta_et -0.5342693E-01 Pxc 0.5372926E+01 Qxc -0.2403690E+01 3,-1 164 3 -1 1.998881 0.864558 -3.048748 Rho 0.8998276E-01 |GRAD(Rho)| 0.4950771E-15 GRAD(Rho)x -0.7375963E-16 GRAD(Rho)y 0.3991084E-15 GRAD(Rho)z -0.2835019E-15 Laplacian 0.3740844E+00 (-1/4)Del**2(Rho)) -0.9352109E-01 Diamond 0.4242025E+00 Metallicity 0.3328453E+01 Ellipticity 0.7046270E-02 Gb(Abramov) 0.1142275E+00 Vb(Abramov) -0.1349339E+00 Hb(Abramov) -0.2070640E-01 Ex_ueg -0.2978042E-01 Ec_ueg -0.4722350E-02 Delta_ex -0.3586457E-01 Delta_ec 0.1118713E-01 Delta_et -0.1365164E+00 Pxc 0.6306271E+01 Qxc -0.3205877E+01 3,-1 165 3 +1 2.197869 1.110674 -1.396560 Rho 0.2519956E-01 |GRAD(Rho)| 0.1994111E-13 GRAD(Rho)x 0.9722776E-14 GRAD(Rho)y -0.1036416E-13 GRAD(Rho)z -0.1398927E-13 Laplacian 0.9475503E-01 (-1/4)Del**2(Rho)) -0.2368876E-01 Diamond 0.1297195E-01 Metallicity 0.1575188E+01 Ellipticity -0.6347052E+01 Gb(Abramov) 0.2201155E-01 Vb(Abramov) -0.2033433E-01 Hb(Abramov) 0.1677212E-02 Ex_ueg -0.5456434E-02 Ec_ueg -0.1098767E-02 Delta_ex -0.5953348E-02 Delta_ec 0.1692849E-02 Delta_et -0.1495294E-01 Pxc 0.4965962E+01 Qxc -0.3516764E+01 3,+1 166 3 -1 2.037345 -0.872907 3.096064 Rho 0.1142196E+00 |GRAD(Rho)| 0.2210757E-13 GRAD(Rho)x -0.1320511E-13 GRAD(Rho)y -0.1569323E-13 GRAD(Rho)z 0.8251815E-14 Laplacian 0.4641822E+00 (-1/4)Del**2(Rho)) -0.1160456E+00 Diamond 0.6952264E+00 Metallicity 0.3991710E+01 Ellipticity 0.4613061E-02 Gb(Abramov) 0.1545671E+00 Vb(Abramov) -0.1930886E+00 Hb(Abramov) -0.3852152E-01 Ex_ueg -0.4092976E-01 Ec_ueg -0.6194197E-02 Delta_ex -0.4692327E-01 Delta_ec 0.1301244E-01 Delta_et -0.1664618E+00 Pxc 0.6607759E+01 Qxc -0.3606032E+01 3,-1 167 3 -1 1.849146 -0.583806 -2.866202 Rho 0.1196864E+00 |GRAD(Rho)| 0.9568785E-12 GRAD(Rho)x 0.7031652E-12 GRAD(Rho)y 0.5958702E-12 GRAD(Rho)z 0.2571263E-12 Laplacian 0.5087276E+00 (-1/4)Del**2(Rho)) -0.1271819E+00 Diamond 0.8065049E+00 Metallicity 0.3937340E+01 Ellipticity 0.2194825E-01 Gb(Abramov) 0.1682476E+00 Vb(Abramov) -0.2093134E+00 Hb(Abramov) -0.4106575E-01 Ex_ueg -0.4356239E-01 Ec_ueg -0.6532305E-02 Delta_ex -0.5200267E-01 Delta_ec 0.1412141E-01 Delta_et -0.1822296E+00 Pxc 0.6668763E+01 Qxc -0.3682541E+01 3,-1 168 3 -1 2.038056 -3.095712 0.872570 Rho 0.1145175E+00 |GRAD(Rho)| 0.3891999E-15 GRAD(Rho)x 0.1283424E-16 GRAD(Rho)y -0.3857320E-15 GRAD(Rho)z -0.5022567E-16 Laplacian 0.4656773E+00 (-1/4)Del**2(Rho)) -0.1164193E+00 Diamond 0.6998164E+00 Metallicity 0.3996207E+01 Ellipticity 0.4478493E-02 Gb(Abramov) 0.1551522E+00 Vb(Abramov) -0.1938850E+00 Hb(Abramov) -0.3873283E-01 Ex_ueg -0.4107216E-01 Ec_ueg -0.6212568E-02 Delta_ex -0.4710553E-01 Delta_ec 0.1305075E-01 Delta_et -0.1670394E+00 Pxc 0.6611141E+01 Qxc -0.3609412E+01 3,-1 169 3 -1 2.884318 1.856811 0.614126 Rho 0.1386718E+00 |GRAD(Rho)| 0.5766166E-12 GRAD(Rho)x 0.7585446E-13 GRAD(Rho)y -0.4163353E-12 GRAD(Rho)z 0.3916602E-12 Laplacian 0.5799078E+00 (-1/4)Del**2(Rho)) -0.1449770E+00 Diamond 0.1091369E+01 Metallicity 0.4414699E+01 Ellipticity 0.1475342E-01 Gb(Abramov) 0.2033229E+00 Vb(Abramov) -0.2616689E+00 Hb(Abramov) -0.5834595E-01 Ex_ueg -0.5301140E-01 Ec_ueg -0.7722337E-02 Delta_ex -0.6133519E-01 Delta_ec 0.1543396E-01 Delta_et -0.2040101E+00 Pxc 0.6864683E+01 Qxc -0.3974041E+01 3,-1 170 3 -1 3.082303 -2.051548 0.882759 Rho 0.1254137E+00 |GRAD(Rho)| 0.4097087E-15 GRAD(Rho)x 0.2593954E-16 GRAD(Rho)y -0.3512544E-15 GRAD(Rho)z -0.2093052E-15 Laplacian 0.5071183E+00 (-1/4)Del**2(Rho)) -0.1267796E+00 Diamond 0.8471202E+00 Metallicity 0.4269843E+01 Ellipticity 0.7732558E-02 Gb(Abramov) 0.1747412E+00 Vb(Abramov) -0.2227028E+00 Hb(Abramov) -0.4796163E-01 Ex_ueg -0.4636371E-01 Ec_ueg -0.6888752E-02 Delta_ex -0.5237434E-01 Delta_ec 0.1385080E-01 Delta_et -0.1801042E+00 Pxc 0.6730349E+01 Qxc -0.3781324E+01 3,-1 171 3 -1 2.218077 -1.253528 1.256202 Rho 0.2454741E-01 |GRAD(Rho)| 0.1472036E-15 GRAD(Rho)x 0.1408916E-15 GRAD(Rho)y -0.1193590E-16 GRAD(Rho)z 0.4093891E-16 Laplacian 0.9442072E-01 (-1/4)Del**2(Rho)) -0.2360518E-01 Diamond 0.1400345E-01 Metallicity 0.1513173E+01 Ellipticity 0.1310548E+02 Gb(Abramov) 0.2168991E-01 Vb(Abramov) -0.1977463E-01 Hb(Abramov) 0.1915274E-02 Ex_ueg -0.5268972E-02 Ec_ueg -0.1065954E-02 Delta_ex -0.6062110E-02 Delta_ec 0.1991864E-02 Delta_et -0.1740871E-01 Pxc 0.4942964E+01 Qxc -0.3043435E+01 3,-1 172 3 -1 2.886355 -0.615497 -1.856616 Rho 0.1387159E+00 |GRAD(Rho)| 0.1975591E-12 GRAD(Rho)x -0.6847168E-13 GRAD(Rho)y 0.1053250E-12 GRAD(Rho)z -0.1524725E-12 Laplacian 0.5800001E+00 (-1/4)Del**2(Rho)) -0.1450000E+00 Diamond 0.1091964E+01 Metallicity 0.4416335E+01 Ellipticity 0.1471193E-01 Gb(Abramov) 0.2033948E+00 Vb(Abramov) -0.2617896E+00 Hb(Abramov) -0.5839478E-01 Ex_ueg -0.5303386E-01 Ec_ueg -0.7725128E-02 Delta_ex -0.6134972E-01 Delta_ec 0.1543533E-01 Delta_et -0.2040387E+00 Pxc 0.6865112E+01 Qxc -0.3974629E+01 3,-1 173 3 -1 3.081947 -0.882054 2.052280 Rho 0.1254918E+00 |GRAD(Rho)| 0.3959001E-15 GRAD(Rho)x 0.2448942E-16 GRAD(Rho)y -0.3159094E-16 GRAD(Rho)z 0.3938771E-15 Laplacian 0.5076265E+00 (-1/4)Del**2(Rho)) -0.1269066E+00 Diamond 0.8486818E+00 Metallicity 0.4269997E+01 Ellipticity 0.7872011E-02 Gb(Abramov) 0.1749196E+00 Vb(Abramov) -0.2229325E+00 Hb(Abramov) -0.4801295E-01 Ex_ueg -0.4640221E-01 Ec_ueg -0.6893629E-02 Delta_ex -0.5243559E-01 Delta_ec 0.1386442E-01 Delta_et -0.1803038E+00 Pxc 0.6731174E+01 Qxc -0.3782027E+01 3,-1 174 3 -1 3.280225 3.282631 0.059011 Rho 0.2039255E+00 |GRAD(Rho)| 0.3430998E-14 GRAD(Rho)x -0.1329232E-15 GRAD(Rho)y 0.2912113E-14 GRAD(Rho)z -0.1809330E-14 Laplacian 0.7657510E+00 (-1/4)Del**2(Rho)) -0.1914378E+00 Diamond 0.2232801E+01 Metallicity 0.6357868E+01 Ellipticity 0.3661554E-02 Gb(Abramov) 0.3304812E+00 Vb(Abramov) -0.4695246E+00 Hb(Abramov) -0.1390434E+00 Ex_ueg -0.8865035E-01 Ec_ueg -0.1198114E-01 Delta_ex -0.8874298E-01 Delta_ec 0.1779856E-01 Delta_et -0.2446196E+00 Pxc 0.7399157E+01 Qxc -0.4985964E+01 3,-1 175 3 -1 3.280981 -0.059881 -3.282243 Rho 0.2039291E+00 |GRAD(Rho)| 0.3590729E-15 GRAD(Rho)x -0.6299215E-16 GRAD(Rho)y -0.1068481E-15 GRAD(Rho)z -0.3369700E-15 Laplacian 0.7657377E+00 (-1/4)Del**2(Rho)) -0.1914344E+00 Diamond 0.2232860E+01 Metallicity 0.6358166E+01 Ellipticity 0.3675576E-02 Gb(Abramov) 0.3304849E+00 Vb(Abramov) -0.4695355E+00 Hb(Abramov) -0.1390505E+00 Ex_ueg -0.8865245E-01 Ec_ueg -0.1198138E-01 Delta_ex -0.8874217E-01 Delta_ec 0.1779875E-01 Delta_et -0.2446247E+00 Pxc 0.7399182E+01 Qxc -0.4985864E+01 3,-1 176 3 -1 3.301611 0.047149 3.302624 Rho 0.2039488E+00 |GRAD(Rho)| 0.2900774E-15 GRAD(Rho)x 0.2583654E-15 GRAD(Rho)y 0.6785750E-16 GRAD(Rho)z -0.1130823E-15 Laplacian 0.7645848E+00 (-1/4)Del**2(Rho)) -0.1911462E+00 Diamond 0.2232027E+01 Metallicity 0.6368776E+01 Ellipticity 0.1700283E-02 Gb(Abramov) 0.3303253E+00 Vb(Abramov) -0.4695045E+00 Hb(Abramov) -0.1391791E+00 Ex_ueg -0.8866383E-01 Ec_ueg -0.1198270E-01 Delta_ex -0.8862576E-01 Delta_ec 0.1779830E-01 Delta_et -0.2447157E+00 Pxc 0.7399318E+01 Qxc -0.4979451E+01 3,-1 177 3 -1 2.886324 0.594151 1.878459 Rho 0.1188597E+00 |GRAD(Rho)| 0.2288847E-15 GRAD(Rho)x 0.6834539E-16 GRAD(Rho)y 0.1140039E-15 GRAD(Rho)z -0.1863337E-15 Laplacian 0.5043394E+00 (-1/4)Del**2(Rho)) -0.1260849E+00 Diamond 0.7945666E+00 Metallicity 0.3925981E+01 Ellipticity 0.2235614E-01 Gb(Abramov) 0.1665577E+00 Vb(Abramov) -0.2070305E+00 Hb(Abramov) -0.4047285E-01 Ex_ueg -0.4316166E-01 Ec_ueg -0.6481040E-02 Delta_ex -0.5149222E-01 Delta_ec 0.1406204E-01 Delta_et -0.1812978E+00 Pxc 0.6659680E+01 Qxc -0.3661790E+01 3,-1 178 3 -1 3.059148 0.878894 -2.047755 Rho 0.1254346E+00 |GRAD(Rho)| 0.9472765E-16 GRAD(Rho)x -0.6772198E-16 GRAD(Rho)y 0.2026103E-16 GRAD(Rho)z 0.6305991E-16 Laplacian 0.5085348E+00 (-1/4)Del**2(Rho)) -0.1271337E+00 Diamond 0.8491702E+00 Metallicity 0.4259136E+01 Ellipticity 0.9984658E-02 Gb(Abramov) 0.1750024E+00 Vb(Abramov) -0.2228711E+00 Hb(Abramov) -0.4786872E-01 Ex_ueg -0.4637404E-01 Ec_ueg -0.6890061E-02 Delta_ex -0.5251657E-01 Delta_ec 0.1387795E-01 Delta_et -0.1804437E+00 Pxc 0.6730571E+01 Qxc -0.3784173E+01 3,-1 179 3 -1 3.301625 -3.302867 -0.046905 Rho 0.2039020E+00 |GRAD(Rho)| 0.3147085E-14 GRAD(Rho)x -0.9016225E-15 GRAD(Rho)y -0.2174964E-14 GRAD(Rho)z 0.2088241E-14 Laplacian 0.7644067E+00 (-1/4)Del**2(Rho)) -0.1911017E+00 Diamond 0.2230824E+01 Metallicity 0.6367826E+01 Ellipticity 0.1658207E-02 Gb(Abramov) 0.3302181E+00 Vb(Abramov) -0.4693346E+00 Hb(Abramov) -0.1391165E+00 Ex_ueg -0.8863673E-01 Ec_ueg -0.1197956E-01 Delta_ex -0.8859946E-01 Delta_ec 0.1779447E-01 Delta_et -0.2446558E+00 Pxc 0.7398995E+01 Qxc -0.4979046E+01 3,-1 180 3 +1 2.213923 -1.125903 1.383150 Rho 0.2450479E-01 |GRAD(Rho)| 0.1677120E-15 GRAD(Rho)x 0.1363934E-15 GRAD(Rho)y 0.6417414E-16 GRAD(Rho)z 0.7352436E-16 Laplacian 0.9230602E-01 (-1/4)Del**2(Rho)) -0.2307651E-01 Diamond 0.1241917E-01 Metallicity 0.1543363E+01 Ellipticity -0.7715214E+01 Gb(Abramov) 0.2132024E-01 Vb(Abramov) -0.1956398E-01 Hb(Abramov) 0.1756265E-02 Ex_ueg -0.5256778E-02 Ec_ueg -0.1063813E-02 Delta_ex -0.5785595E-02 Delta_ec 0.1700692E-02 Delta_et -0.1490589E-01 Pxc 0.4941448E+01 Qxc -0.3401907E+01 3,+1 181 3 -1 -3.020068 -1.980819 -0.850243 Rho 0.1220644E+00 |GRAD(Rho)| 0.1018845E-13 GRAD(Rho)x 0.3986889E-14 GRAD(Rho)y -0.6163168E-14 GRAD(Rho)z 0.7065732E-14 Laplacian 0.4790723E+00 (-1/4)Del**2(Rho)) -0.1197681E+00 Diamond 0.7567627E+00 Metallicity 0.4320429E+01 Ellipticity 0.2939520E-01 Gb(Abramov) 0.1660870E+00 Vb(Abramov) -0.2124059E+00 Hb(Abramov) -0.4631888E-01 Ex_ueg -0.4472018E-01 Ec_ueg -0.6680026E-02 Delta_ex -0.4892578E-01 Delta_ec 0.1274865E-01 Delta_et -0.1642996E+00 Pxc 0.6694612E+01 Qxc -0.3837722E+01 3,-1 182 3 -1 -3.234419 3.202025 -0.088373 Rho 0.2300047E+00 |GRAD(Rho)| 0.3030710E-14 GRAD(Rho)x 0.6319814E-15 GRAD(Rho)y 0.1999702E-14 GRAD(Rho)z -0.2187920E-14 Laplacian 0.8471468E+00 (-1/4)Del**2(Rho)) -0.2117867E+00 Diamond 0.2845950E+01 Metallicity 0.7023425E+01 Ellipticity 0.2568057E-02 Gb(Abramov) 0.3891025E+00 Vb(Abramov) -0.5664182E+00 Hb(Abramov) -0.1773158E+00 Ex_ueg -0.1040800E+00 Ec_ueg -0.1375090E-01 Delta_ex -0.1012207E+00 Delta_ec 0.1894282E-01 Delta_et -0.2619211E+00 Pxc 0.7568958E+01 Qxc -0.5343489E+01 3,-1 183 3 -1 -2.784245 1.802271 -0.548375 Rho 0.1356139E+00 |GRAD(Rho)| 0.2362506E-12 GRAD(Rho)x 0.5138266E-13 GRAD(Rho)y 0.1740622E-12 GRAD(Rho)z 0.1512499E-12 Laplacian 0.5668615E+00 (-1/4)Del**2(Rho)) -0.1417154E+00 Diamond 0.1014965E+01 Metallicity 0.4351541E+01 Ellipticity 0.1020249E-01 Gb(Abramov) 0.1972570E+00 Vb(Abramov) -0.2527986E+00 Hb(Abramov) -0.5554160E-01 Ex_ueg -0.5145852E-01 Ec_ueg -0.7529056E-02 Delta_ex -0.5936399E-01 Delta_ec 0.1468622E-01 Delta_et -0.1925046E+00 Pxc 0.6834657E+01 Qxc -0.4042156E+01 3,-1 184 3 -1 -2.789470 -1.787748 0.538545 Rho 0.1356259E+00 |GRAD(Rho)| 0.4789297E-15 GRAD(Rho)x 0.1076816E-15 GRAD(Rho)y -0.3499398E-15 GRAD(Rho)z -0.3087401E-15 Laplacian 0.5625869E+00 (-1/4)Del**2(Rho)) -0.1406467E+00 Diamond 0.1006565E+01 Metallicity 0.4385255E+01 Ellipticity 0.1035932E-01 Gb(Abramov) 0.1965598E+00 Vb(Abramov) -0.2524728E+00 Hb(Abramov) -0.5591305E-01 Ex_ueg -0.5146462E-01 Ec_ueg -0.7529818E-02 Delta_ex -0.5890788E-01 Delta_ec 0.1455780E-01 Delta_et -0.1907893E+00 Pxc 0.6834776E+01 Qxc -0.4046483E+01 3,-1 185 3 -1 -2.044203 -0.847285 -3.028948 Rho 0.1646850E+00 |GRAD(Rho)| 0.1101246E-12 GRAD(Rho)x 0.8994392E-14 GRAD(Rho)y -0.1088294E-12 GRAD(Rho)z 0.1423620E-13 Laplacian 0.6423257E+00 (-1/4)Del**2(Rho)) -0.1605814E+00 Diamond 0.1447867E+01 Metallicity 0.5308208E+01 Ellipticity 0.4314924E-01 Gb(Abramov) 0.2491209E+00 Vb(Abramov) -0.3376603E+00 Hb(Abramov) -0.8853945E-01 Ex_ueg -0.6666897E-01 Ec_ueg -0.9390099E-02 Delta_ex -0.7051856E-01 Delta_ec 0.1578760E-01 Delta_et -0.2124040E+00 Pxc 0.7099922E+01 Qxc -0.4466704E+01 3,-1 186 3 -1 -1.848540 -0.566754 2.803728 Rho 0.1680351E+00 |GRAD(Rho)| 0.5861067E-12 GRAD(Rho)x 0.4174228E-12 GRAD(Rho)y -0.3983244E-12 GRAD(Rho)z 0.1030384E-12 Laplacian 0.6900014E+00 (-1/4)Del**2(Rho)) -0.1725004E+00 Diamond 0.1588015E+01 Metallicity 0.5110108E+01 Ellipticity 0.1512712E-01 Gb(Abramov) 0.2619161E+00 Vb(Abramov) -0.3513319E+00 Hb(Abramov) -0.8941578E-01 Ex_ueg -0.6848339E-01 Ec_ueg -0.9607849E-02 Delta_ex -0.7608820E-01 Delta_ec 0.1678927E-01 Delta_et -0.2261929E+00 Pxc 0.7127858E+01 Qxc -0.4531954E+01 3,-1 187 3 -1 -1.731912 -1.745449 -0.531536 Rho 0.4683498E-01 |GRAD(Rho)| 0.4279336E-14 GRAD(Rho)x -0.2780483E-14 GRAD(Rho)y -0.2911858E-14 GRAD(Rho)z 0.1450072E-14 Laplacian 0.1880260E+00 (-1/4)Del**2(Rho)) -0.4700651E-01 Diamond 0.8654129E-01 Metallicity 0.2230210E+01 Ellipticity 0.2184125E-01 Gb(Abramov) 0.4881007E-01 Vb(Abramov) -0.5061363E-01 Hb(Abramov) -0.1803561E-02 Ex_ueg -0.1246844E-01 Ec_ueg -0.2240685E-02 Delta_ex -0.1519340E-01 Delta_ec 0.5549178E-02 Delta_et -0.5750644E-01 Pxc 0.5564568E+01 Qxc -0.2737955E+01 3,-1 188 3 -1 -0.881558 -3.020121 -2.013743 Rho 0.9706430E-01 |GRAD(Rho)| 0.1355805E-15 GRAD(Rho)x -0.1209970E-15 GRAD(Rho)y -0.5692061E-16 GRAD(Rho)z -0.2240233E-16 Laplacian 0.4025212E+00 (-1/4)Del**2(Rho)) -0.1006303E+00 Diamond 0.4987028E+00 Metallicity 0.3509595E+01 Ellipticity 0.5699874E-02 Gb(Abramov) 0.1259488E+00 Vb(Abramov) -0.1512673E+00 Hb(Abramov) -0.2531849E-01 Ex_ueg -0.3294563E-01 Ec_ueg -0.5147563E-02 Delta_ex -0.3923655E-01 Delta_ec 0.1179868E-01 Delta_et -0.1462726E+00 Pxc 0.6400237E+01 Qxc -0.3325503E+01 3,-1 189 3 -1 -0.050719 -3.272151 3.271437 Rho 0.2049077E+00 |GRAD(Rho)| 0.3079673E-14 GRAD(Rho)x 0.9565103E-15 GRAD(Rho)y 0.2316398E-14 GRAD(Rho)z -0.1789909E-14 Laplacian 0.7746846E+00 (-1/4)Del**2(Rho)) -0.1936711E+00 Diamond 0.2268369E+01 Metallicity 0.6335080E+01 Ellipticity 0.3254348E-04 Gb(Abramov) 0.3336011E+00 Vb(Abramov) -0.4735311E+00 Hb(Abramov) -0.1399300E+00 Ex_ueg -0.8922012E-01 Ec_ueg -0.1204711E-01 Delta_ex -0.8986540E-01 Delta_ec 0.1794049E-01 Delta_et -0.2465099E+00 Pxc 0.7405933E+01 Qxc -0.5009082E+01 3,-1 190 3 -1 0.061929 -3.258845 -3.264334 Rho 0.2037419E+00 |GRAD(Rho)| 0.6996423E-15 GRAD(Rho)x 0.2608861E-16 GRAD(Rho)y 0.1469636E-15 GRAD(Rho)z 0.6835353E-15 Laplacian 0.7676128E+00 (-1/4)Del**2(Rho)) -0.1919032E+00 Diamond 0.2233000E+01 Metallicity 0.6332932E+01 Ellipticity 0.1537315E-02 Gb(Abramov) 0.3304871E+00 Vb(Abramov) -0.4690711E+00 Hb(Abramov) -0.1385839E+00 Ex_ueg -0.8854394E-01 Ec_ueg -0.1196881E-01 Delta_ex -0.8891964E-01 Delta_ec 0.1781307E-01 Delta_et -0.2446843E+00 Pxc 0.7397887E+01 Qxc -0.4991819E+01 3,-1 191 3 -1 1.863169 -2.878963 -0.577500 Rho 0.1143546E+00 |GRAD(Rho)| 0.1919742E-15 GRAD(Rho)x 0.1270278E-15 GRAD(Rho)y -0.6548242E-16 GRAD(Rho)z 0.1281798E-15 Laplacian 0.4847693E+00 (-1/4)Del**2(Rho)) -0.1211923E+00 Diamond 0.7295495E+00 Metallicity 0.3829725E+01 Ellipticity 0.2838030E-01 Gb(Abramov) 0.1581504E+00 Vb(Abramov) -0.1951085E+00 Hb(Abramov) -0.3695810E-01 Ex_ueg -0.4099429E-01 Ec_ueg -0.6202523E-02 Delta_ex -0.4905311E-01 Delta_ec 0.1364863E-01 Delta_et -0.1747314E+00 Pxc 0.6609293E+01 Qxc -0.3593994E+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 81 150 114 124 151 139 189 105 148 137 106 188 190 142 120 116 141 147 133 102 144 146 107 118 131 159 140 191 170 168 179 156 169 160 162 161 174 97 183 95 62 96 182 187 184 93 181 92 58 76 78 98 64 185 72 71 70 186 60 85 75 104 177 154 173 166 176 163 172 167 178 164 175 171 134 127 115 135 129 69 82 125 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 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1.714543 2.621361 1.705414 1.714515 3.166755 3.309040 3.308963 2.428915 2.080339 2.082460 1.950464 1.950633 1.803866 2.439604 1.942141 1.933017 2.101771 2.090910 1.806261 2.403184 1.988728 1.995296 1.876337 1.877723 1.759554 2.439631 1.933331 1.940432 2.093580 2.101362 1.806252 2.473601 2.003210 2.019237 1.992224 2.027274 1.806020 2.463659 1.943958 2.002964 1.991779 2.117939 1.805957 2.404560 1.955005 1.922021 1.946307 1.890119 1.759415 2.395815 1.955483 1.871126 2.007978 1.898539 1.760783 2.405399 1.955111 1.926685 1.940972 1.889633 1.759394 2.396913 1.961044 1.872363 2.002428 1.896302 1.760733 2.473370 2.003372 2.019375 1.991931 2.028395 1.805928 2.463601 1.943865 2.001243 1.992458 2.119349 1.805953 2.638385 1.698597 1.714549 2.623663 1.705422 1.714520 3.168769 3.316414 3.317571 27 28 30 26 25 23 30 26 26 30 26 23 27 27 29 25 26 22 31 26 26 29 29 23 29 27 25 26 26 22 29 26 28 26 27 24 30 25 29 27 29 21 27 25 26 24 28 24 30 27 27 28 25 23 31 28 24 28 30 25 31 26 25 25 25 23 29 26 25 26 27 23 29 23 22 32 20 20 35 35 35 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 Ta Ta W Ta Ta Ta W W W W Ta Ta O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O As 2.1703 2.1759 2.4154 2.1757 2.1579 2.1676 2.4254 2.4220 2.4254 2.4219 2.1578 2.1673 -1.0981 -1.1207 -1.1075 -1.1208 -0.9757 -1.0274 -0.9731 -1.0272 -1.0246 -1.0245 -0.9754 -0.9723 -0.9747 -0.9718 -1.0245 -1.0242 -1.0523 -0.9988 -1.0551 -0.9993 -1.0455 -0.9896 -1.0044 -0.9981 -1.0055 -0.9984 -1.0456 -0.9902 -0.9674 -0.9747 -0.8634 -0.9746 -0.9780 -0.9761 -0.8633 -0.8681 -0.8633 -0.8680 -0.9779 -0.9760 2.4937 2.1200 2.1153 2.1104 2.1153 2.1286 2.1216 2.1019 2.1054 2.1018 2.1055 2.1287 2.1215 1.9401 1.9357 1.9387 1.9357 1.9282 1.9212 1.9284 1.9211 1.9224 1.9220 1.9282 1.9303 1.9284 1.9305 1.9224 1.9219 1.9261 1.9355 1.9267 1.9354 1.9273 1.9373 1.9363 1.9366 1.9361 1.9366 1.9273 1.9372 1.9371 1.9369 1.9542 1.9369 1.9362 1.9366 1.9540 1.9540 1.9540 1.9540 1.9362 1.9366 0.8402 6.0846 6.0855 6.0980 6.0855 6.0964 6.0906 6.0958 6.0981 6.0957 6.0981 6.0965 6.0907 5.1223 5.1479 5.1324 5.1479 5.0194 5.0824 5.0163 5.0823 5.0778 5.0785 5.0189 5.0146 5.0181 5.0138 5.0777 5.0782 5.1019 5.0341 5.1039 5.0347 5.0930 5.0238 5.0404 5.0335 5.0416 5.0338 5.0931 5.0247 5.0052 5.0129 4.8773 5.0129 5.0170 5.0146 4.8774 4.8824 4.8774 4.8824 5.0169 5.0145 1.1263 2.5909 2.5891 3.3466 2.5893 2.5829 2.5860 3.3472 3.3448 3.3473 3.3448 2.5828 2.5863 0.0357 0.0372 0.0363 0.0372 0.0281 0.0239 0.0284 0.0238 0.0244 0.0240 0.0282 0.0275 0.0282 0.0275 0.0244 0.0240 0.0243 0.0292 0.0245 0.0291 0.0251 0.0285 0.0278 0.0280 0.0277 0.0280 0.0252 0.0284 0.0251 0.0249 0.0319 0.0249 0.0248 0.0249 0.0319 0.0317 0.0319 0.0317 0.0248 0.0249 10.5398 14.0341 14.0343 14.0295 14.0343 14.0342 14.0342 14.0298 14.0297 14.0298 14.0297 14.0342 14.0342 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 Ta Ta W Ta Ta Ta W W W W Ta Ta O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O As 2.354296 2.347896 2.496566 2.347757 2.355125 2.351022 2.498189 2.494240 2.498323 2.494352 2.355090 2.350916 -1.098101 -1.094295 -1.095426 -1.094329 -1.001122 -1.071710 -0.997330 -1.071727 -1.064317 -1.068394 -0.997184 -1.004911 -0.996718 -1.004287 -1.064139 -1.068236 -1.080056 -1.001109 -1.076489 -1.001550 -1.070749 -1.005650 -1.014783 -1.010996 -1.015688 -1.011238 -1.070688 -1.006287 -1.062747 -1.071575 -0.915652 -1.071486 -1.077828 -1.074289 -0.915902 -0.921149 -0.915812 -0.921107 -1.077676 -1.074211 2.313169 1.844594 1.829798 1.934484 1.830008 1.837523 1.832011 1.923120 1.924717 1.923196 1.924569 1.837655 1.831940 -0.712862 -0.708024 -0.711106 -0.708039 -0.737366 -0.831083 -0.736949 -0.830689 -0.821146 -0.828122 -0.742759 -0.773257 -0.744533 -0.773874 -0.821442 -0.827533 -0.916581 -0.840952 -0.913055 -0.840451 -0.917022 -0.859665 -0.865631 -0.864970 -0.866065 -0.864870 -0.916658 -0.860054 -1.011293 -1.020791 -0.837596 -1.020616 -1.035059 -1.028162 -0.839570 -0.844546 -0.839372 -0.844574 -1.034910 -1.028129 1.745763 1.965257 1.951275 2.043207 1.951250 1.970378 1.960097 2.035049 2.037493 2.034985 2.037468 1.970491 1.959862 -0.801520 -0.788220 -0.795917 -0.788301 -0.823239 -0.923504 -0.823723 -0.923372 -0.907421 -0.916112 -0.831103 -0.852383 -0.831818 -0.852101 -0.907486 -0.915735 -0.962609 -0.873260 -0.961776 -0.873661 -0.951775 -0.876889 -0.892028 -0.888078 -0.893095 -0.888187 -0.951463 -0.877597 -0.983762 -0.994707 -0.804691 -0.994501 -1.003900 -0.999184 -0.805559 -0.809347 -0.805565 -0.809501 -1.003752 -0.999083 1.669115 -18.95615277 4.68411594 -4.68696013 20.08094284 5.09063011 1.76778289 -1.75482161 -2.62097065 -20.88664217 -2.46965946 -378.7005 432.2416 19.9744 -445.7528 -117.5170 -489.7544 Jun21-2024 12:29:39 Nodes: 1 Procs: 1 Jun21-2024 12:29:44 Nodes: 1 Procs: 1 0 Jun21-2024 12:29:54 Nodes: 1 Procs: 1 Jun21-2024 12:29:58 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 12:30:04 Nodes: 1 Procs: 1 Jun21-2024 12:30:07 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun21-2024 12:30:10 Nodes: 1 Procs: 1 Jun21-2024 12:30:13 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun21-2024 12:30:21 Nodes: 1 Procs: 5 *** (NO TITLE) *** -10 -17.74515313 -17.96037343 -17.97812592 -17.99102937 -17.99427438 -17.99595971 -17.99687607 -17.99740264 -17.99780711 -17.99800567 -17.99806874 -17.99809784 -17.99812088 -17.99813576 -17.99814359 GEOMETRY CONVERGED