ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 12:48:12 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.55 0.03 2.51 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 Jun19-2024 12:48:12 Nodes: 1 Procs: 1 Jun19-2024 12:48:15 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 12:48:18 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.05 1.70 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 Jun19-2024 12:48:12 Nodes: 1 Procs: 1 Jun19-2024 12:48:15 Nodes: 1 Procs: 1 0 Jun19-2024 12:48:18 Nodes: 1 Procs: 1 Jun19-2024 12:48:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 12:48:22 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.81 0.05 2.81 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 Jun19-2024 12:48:12 Nodes: 1 Procs: 1 Jun19-2024 12:48:15 Nodes: 1 Procs: 1 0 Jun19-2024 12:48:18 Nodes: 1 Procs: 1 Jun19-2024 12:48:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 12:48:22 Nodes: 1 Procs: 1 Jun19-2024 12:48:25 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 12:48:29 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 1.86 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 Jun19-2024 12:48:12 Nodes: 1 Procs: 1 Jun19-2024 12:48:15 Nodes: 1 Procs: 1 0 Jun19-2024 12:48:18 Nodes: 1 Procs: 1 Jun19-2024 12:48:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 12:48:22 Nodes: 1 Procs: 1 Jun19-2024 12:48:25 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 12:48:29 Nodes: 1 Procs: 1 Jun19-2024 12:48:31 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 12:48:33 Hydrogen (TZP) c10-15 c10-15 c10-15 c10-15 c10-15 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.81 0.05 3.20 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 Jun19-2024 12:48:12 Nodes: 1 Procs: 1 Jun19-2024 12:48:15 Nodes: 1 Procs: 1 0 Jun19-2024 12:48:18 Nodes: 1 Procs: 1 Jun19-2024 12:48:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 12:48:22 Nodes: 1 Procs: 1 Jun19-2024 12:48:25 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 12:48:29 Nodes: 1 Procs: 1 Jun19-2024 12:48:31 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 12:48:33 Nodes: 1 Procs: 1 Jun19-2024 12:48:36 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 12:48:42 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2715.3540000000057 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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.Ta ADF 2019.304 Jun19-2024 12:48:25 1 1 Tantalum TZP 4d t21.As ADF 2019.304 Jun19-2024 12:48:20 1 1 Arsenic TZP 3p t21.W ADF 2019.304 Jun19-2024 12:48:36 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun19-2024 12:48:31 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun19-2024 12:48:15 1 1 Hydrogen TZP 1 1 -16.48429577 0.29062977 0.00100000 F 0.09867605 0.00066667 F 0.29062977 0.09867605 0.27155625 0.01000000 F 0.06400151 0.00666667 F Cartesian 2715.3540000000057 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-0.1619229E-14 GRAD(Rho)z -0.3755243E-14 Laplacian 0.5487593E+00 (-1/4)Del**2(Rho)) -0.1371898E+00 Diamond 0.9678088E+00 Metallicity 0.4362414E+01 Ellipticity 0.1155496E-01 Gb(Abramov) 0.1912064E+00 Vb(Abramov) -0.2452229E+00 Hb(Abramov) -0.5401653E-01 Ex_ueg -0.5023984E-01 Ec_ueg -0.7376777E-02 Delta_ex -0.5729132E-01 Delta_ec 0.1440925E-01 Delta_et -0.1885968E+00 Pxc 0.6810540E+01 Qxc -0.3976011E+01 3,-1 57 3 +1 -0.619938 -1.691416 0.544212 Rho 0.9032381E-02 |GRAD(Rho)| 0.9150960E-14 GRAD(Rho)x 0.2229872E-14 GRAD(Rho)y -0.8606570E-14 GRAD(Rho)z 0.2166723E-14 Laplacian 0.3373408E-01 (-1/4)Del**2(Rho)) -0.8433519E-02 Diamond 0.9553967E-03 Metallicity 0.8002299E+00 Ellipticity -0.1507766E+01 Gb(Abramov) 0.6747138E-02 Vb(Abramov) -0.5060758E-02 Hb(Abramov) 0.1686381E-02 Ex_ueg -0.1389274E-02 Ec_ueg -0.3243673E-03 Delta_ex -0.1556263E-02 Delta_ec 0.4673011E-03 Delta_et -0.3240369E-02 Pxc 0.4283029E+01 Qxc -0.3330323E+01 3,+1 58 3 -1 -3.029298 -2.007680 -0.862528 Rho 0.1365288E+00 |GRAD(Rho)| 0.2850055E-13 GRAD(Rho)x 0.1165064E-13 GRAD(Rho)y 0.2149287E-13 GRAD(Rho)z -0.1464924E-13 Laplacian 0.5378614E+00 (-1/4)Del**2(Rho)) -0.1344654E+00 Diamond 0.9739489E+00 Metallicity 0.4637848E+01 Ellipticity 0.6027143E-01 Gb(Abramov) 0.1935819E+00 Vb(Abramov) -0.2526984E+00 Hb(Abramov) -0.5911653E-01 Ex_ueg -0.5192192E-01 Ec_ueg -0.7586822E-02 Delta_ex -0.5645400E-01 Delta_ec 0.1397468E-01 Delta_et -0.1834939E+00 Pxc 0.6843698E+01 Qxc -0.4039736E+01 3,-1 59 3 -1 -3.013145 0.866642 2.037324 Rho 0.1348121E+00 |GRAD(Rho)| 0.1966341E-14 GRAD(Rho)x 0.6457034E-15 GRAD(Rho)y -0.1359495E-14 GRAD(Rho)z 0.1265440E-14 Laplacian 0.5345776E+00 (-1/4)Del**2(Rho)) -0.1336444E+00 Diamond 0.9504210E+00 Metallicity 0.4568958E+01 Ellipticity 0.4324656E-01 Gb(Abramov) 0.1908655E+00 Vb(Abramov) -0.2480867E+00 Hb(Abramov) -0.5722113E-01 Ex_ueg -0.5105326E-01 Ec_ueg -0.7478477E-02 Delta_ex -0.5590324E-01 Delta_ec 0.1387081E-01 Delta_et -0.1816512E+00 Pxc 0.6826692E+01 Qxc -0.4030279E+01 3,-1 60 3 -1 -3.243330 3.151257 -0.097782 Rho 0.2315855E+00 |GRAD(Rho)| 0.2188549E-13 GRAD(Rho)x -0.1820104E-14 GRAD(Rho)y 0.1944538E-13 GRAD(Rho)z 0.9876187E-14 Laplacian 0.8531452E+00 (-1/4)Del**2(Rho)) -0.2132863E+00 Diamond 0.2885641E+01 Metallicity 0.7054114E+01 Ellipticity 0.9494269E-02 Gb(Abramov) 0.3929485E+00 Vb(Abramov) -0.5726107E+00 Hb(Abramov) -0.1796622E+00 Ex_ueg -0.1050349E+00 Ec_ueg -0.1385938E-01 Delta_ex -0.1020958E+00 Delta_ec 0.1899729E-01 Delta_et -0.2625781E+00 Pxc 0.7578612E+01 Qxc -0.5374233E+01 3,-1 61 3 -1 -3.295078 -3.137946 0.096731 Rho 0.2348902E+00 |GRAD(Rho)| 0.4705563E-14 GRAD(Rho)x 0.1578707E-14 GRAD(Rho)y -0.4333881E-14 GRAD(Rho)z -0.9313839E-15 Laplacian 0.8793002E+00 (-1/4)Del**2(Rho)) -0.2198251E+00 Diamond 0.3017187E+01 Metallicity 0.7007839E+01 Ellipticity 0.3060345E-02 Gb(Abramov) 0.4032998E+00 Vb(Abramov) -0.5867745E+00 Hb(Abramov) -0.1834747E+00 Ex_ueg -0.1070381E+00 Ec_ueg -0.1408660E-01 Delta_ex -0.1055706E+00 Delta_ec 0.1941973E-01 Delta_et -0.2682316E+00 Pxc 0.7598572E+01 Qxc -0.5436257E+01 3,-1 62 3 +3 -1.126079 -1.122754 1.191760 Rho 0.5290912E-02 |GRAD(Rho)| 0.2681684E-14 GRAD(Rho)x 0.1772796E-14 GRAD(Rho)y 0.8998005E-15 GRAD(Rho)z -0.1799718E-14 Laplacian 0.2020399E-01 (-1/4)Del**2(Rho)) -0.5050998E-02 Diamond 0.1475534E-03 Metallicity 0.5479323E+00 Ellipticity -0.8253278E-01 Gb(Abramov) 0.3828599E-02 Vb(Abramov) -0.2606201E-02 Hb(Abramov) 0.1222398E-02 Ex_ueg -0.6809143E-03 Ec_ueg -0.1594533E-03 Delta_ex -0.7048733E-03 Delta_ec 0.8145209E-04 Delta_et -0.6727240E-03 Pxc 0.4270304E+01 Qxc -0.8653839E+01 3,+3 63 3 +1 -2.239550 -1.202062 -1.353238 Rho 0.3153383E-01 |GRAD(Rho)| 0.1117707E-13 GRAD(Rho)x -0.1107709E-13 GRAD(Rho)y -0.1236210E-14 GRAD(Rho)z -0.8347237E-15 Laplacian 0.1331403E+00 (-1/4)Del**2(Rho)) -0.3328508E-01 Diamond 0.2578977E-01 Metallicity 0.1629039E+01 Ellipticity -0.7279806E+01 Gb(Abramov) 0.3122717E-01 Vb(Abramov) -0.2916926E-01 Hb(Abramov) 0.2057910E-02 Ex_ueg -0.7357903E-02 Ec_ueg -0.1422992E-02 Delta_ex -0.8958761E-02 Delta_ec 0.2517049E-02 Delta_et -0.2347797E-01 Pxc 0.5170726E+01 Qxc -0.3559232E+01 3,+1 64 3 +3 -1.954924 1.955778 1.979718 Rho 0.1207560E-01 |GRAD(Rho)| 0.1990281E-16 GRAD(Rho)x 0.2834223E-17 GRAD(Rho)y 0.1158523E-16 GRAD(Rho)z -0.1593335E-16 Laplacian 0.5367135E-01 (-1/4)Del**2(Rho)) -0.1341784E-01 Diamond 0.1369710E-02 Metallicity 0.8160528E+00 Ellipticity -0.9305460E+00 Gb(Abramov) 0.1077017E-01 Vb(Abramov) -0.8122500E-02 Hb(Abramov) 0.2647668E-02 Ex_ueg -0.2046114E-02 Ec_ueg -0.4630599E-03 Delta_ex -0.2413444E-02 Delta_ec 0.2875904E-03 Delta_et -0.2473061E-02 Pxc 0.4418681E+01 Qxc -0.8391949E+01 3,+3 65 3 -1 -3.025713 1.972143 0.869772 Rho 0.1362212E+00 |GRAD(Rho)| 0.2187989E-15 GRAD(Rho)x 0.8139648E-16 GRAD(Rho)y -0.1279359E-16 GRAD(Rho)z -0.2026916E-15 Laplacian 0.5271542E+00 (-1/4)Del**2(Rho)) -0.1317885E+00 Diamond 0.9572270E+00 Metallicity 0.4714293E+01 Ellipticity 0.3311415E-01 Gb(Abramov) 0.1914073E+00 Vb(Abramov) -0.2510261E+00 Hb(Abramov) -0.5961878E-01 Ex_ueg -0.5176599E-01 Ec_ueg -0.7567393E-02 Delta_ex -0.5535935E-01 Delta_ec 0.1381012E-01 Delta_et -0.1814821E+00 Pxc 0.6840664E+01 Qxc -0.4008607E+01 3,-1 66 3 +1 -1.999699 1.998994 2.021966 Rho 0.1208078E-01 |GRAD(Rho)| 0.8750554E-17 GRAD(Rho)x 0.1851926E-17 GRAD(Rho)y -0.8449534E-17 GRAD(Rho)z 0.1322092E-17 Laplacian 0.5402005E-01 (-1/4)Del**2(Rho)) -0.1350501E-01 Diamond 0.1553720E-02 Metallicity 0.8113658E+00 Ellipticity -0.1057720E+01 Gb(Abramov) 0.1082959E-01 Vb(Abramov) -0.8154172E-02 Hb(Abramov) 0.2675420E-02 Ex_ueg -0.2047286E-02 Ec_ueg -0.4632995E-03 Delta_ex -0.2479341E-02 Delta_ec 0.3785794E-03 Delta_et -0.3090395E-02 Pxc 0.4418925E+01 Qxc -0.6549066E+01 3,+1 67 3 +1 -1.666177 0.485812 -0.522234 Rho 0.1022956E-01 |GRAD(Rho)| 0.2209501E-16 GRAD(Rho)x 0.1540393E-16 GRAD(Rho)y -0.1565066E-16 GRAD(Rho)z -0.2442367E-17 Laplacian 0.3910922E-01 (-1/4)Del**2(Rho)) -0.9777304E-02 Diamond 0.1361109E-02 Metallicity 0.8493682E+00 Ellipticity -0.1591334E+01 Gb(Abramov) 0.7902291E-02 Vb(Abramov) -0.6027278E-02 Hb(Abramov) 0.1875013E-02 Ex_ueg -0.1640066E-02 Ec_ueg -0.3784690E-03 Delta_ex -0.1880002E-02 Delta_ec 0.5725939E-03 Delta_et -0.4074132E-02 Pxc 0.4333421E+01 Qxc -0.3283307E+01 3,+1 68 3 +1 -0.182312 2.966276 0.193542 Rho 0.5606419E-02 |GRAD(Rho)| 0.3738343E-17 GRAD(Rho)x 0.1514330E-17 GRAD(Rho)y -0.1061824E-17 GRAD(Rho)z -0.3248775E-17 Laplacian 0.2249675E-01 (-1/4)Del**2(Rho)) -0.5624187E-02 Diamond 0.5482900E-03 Metallicity 0.5419626E+00 Ellipticity -0.2311320E+01 Gb(Abramov) 0.4257475E-02 Vb(Abramov) -0.2890762E-02 Hb(Abramov) 0.1366713E-02 Ex_ueg -0.7355843E-03 Ec_ueg -0.1731021E-03 Delta_ex -0.1092978E-02 Delta_ec 0.6178244E-03 Delta_et -0.3508616E-02 Pxc 0.4249424E+01 Qxc -0.1769076E+01 3,+1 69 3 +1 -2.194734 1.218679 1.245733 Rho 0.2736688E-01 |GRAD(Rho)| 0.1899824E-15 GRAD(Rho)x 0.4783064E-16 GRAD(Rho)y -0.1481381E-15 GRAD(Rho)z 0.1089065E-15 Laplacian 0.1089674E+00 (-1/4)Del**2(Rho)) -0.2724184E-01 Diamond 0.1700977E-01 Metallicity 0.1571661E+01 Ellipticity -0.5966211E+01 Gb(Abramov) 0.2529705E-01 Vb(Abramov) -0.2335226E-01 Hb(Abramov) 0.1944790E-02 Ex_ueg -0.6090956E-02 Ec_ueg -0.1208606E-02 Delta_ex -0.7026901E-02 Delta_ec 0.1998169E-02 Delta_et -0.1800527E-01 Pxc 0.5039655E+01 Qxc -0.3516669E+01 3,+1 70 3 -1 -0.258836 -1.243401 -3.529025 Rho 0.4561309E-02 |GRAD(Rho)| 0.1106092E-16 GRAD(Rho)x 0.1102331E-16 GRAD(Rho)y 0.9061072E-18 GRAD(Rho)z -0.9696612E-19 Laplacian 0.1726219E-01 (-1/4)Del**2(Rho)) -0.4315546E-02 Diamond 0.5463579E-03 Metallicity 0.5008025E+00 Ellipticity 0.1595707E+00 Gb(Abramov) 0.3237237E-02 Vb(Abramov) -0.2158928E-02 Hb(Abramov) 0.1078309E-02 Ex_ueg -0.5586901E-03 Ec_ueg -0.1280832E-03 Delta_ex -0.1043263E-02 Delta_ec 0.9006028E-03 Delta_et -0.4612209E-02 Pxc 0.4361930E+01 Qxc -0.1158405E+01 3,-1 71 3 -1 -2.807175 -1.774011 0.577936 Rho 0.1459629E+00 |GRAD(Rho)| 0.1575324E-12 GRAD(Rho)x 0.2776313E-13 GRAD(Rho)y -0.1173411E-12 GRAD(Rho)z -0.1013741E-12 Laplacian 0.6126109E+00 (-1/4)Del**2(Rho)) -0.1531527E+00 Diamond 0.1195006E+01 Metallicity 0.4551621E+01 Ellipticity 0.1625270E-01 Gb(Abramov) 0.2182840E+00 Vb(Abramov) -0.2834153E+00 Hb(Abramov) -0.6513127E-01 Ex_ueg -0.5675992E-01 Ec_ueg -0.8185586E-02 Delta_ex -0.6528330E-01 Delta_ec 0.1553009E-01 Delta_et -0.2056771E+00 Pxc 0.6934131E+01 Qxc -0.4203666E+01 3,-1 72 3 -1 -2.933875 0.026698 0.062037 Rho 0.6673481E-02 |GRAD(Rho)| 0.7323132E-17 GRAD(Rho)x -0.6366362E-19 GRAD(Rho)y 0.2118517E-17 GRAD(Rho)z -0.7009714E-17 Laplacian 0.2655014E-01 (-1/4)Del**2(Rho)) -0.6637534E-02 Diamond 0.1071302E-02 Metallicity 0.6139511E+00 Ellipticity 0.9034510E+00 Gb(Abramov) 0.5104210E-02 Vb(Abramov) -0.3570885E-02 Hb(Abramov) 0.1533325E-02 Ex_ueg -0.9279437E-03 Ec_ueg -0.2196254E-03 Delta_ex -0.1497330E-02 Delta_ec 0.1014538E-02 Delta_et -0.5938211E-02 Pxc 0.4225119E+01 Qxc -0.1475874E+01 3,-1 73 3 -1 -2.788923 -0.528371 1.833387 Rho 0.1264944E+00 |GRAD(Rho)| 0.1251248E-12 GRAD(Rho)x -0.5007137E-14 GRAD(Rho)y -0.9369191E-13 GRAD(Rho)z -0.8278270E-13 Laplacian 0.5247573E+00 (-1/4)Del**2(Rho)) -0.1311893E+00 Diamond 0.8670508E+00 Metallicity 0.4185751E+01 Ellipticity 0.7322715E-02 Gb(Abramov) 0.1789805E+00 Vb(Abramov) -0.2267717E+00 Hb(Abramov) -0.4779121E-01 Ex_ueg -0.4689718E-01 Ec_ueg -0.6956265E-02 Delta_ex -0.5407423E-01 Delta_ec 0.1388819E-01 Delta_et -0.1801382E+00 Pxc 0.6741718E+01 Qxc -0.3893542E+01 3,-1 74 3 -1 -3.276273 0.109363 -3.159950 Rho 0.2275289E+00 |GRAD(Rho)| 0.2375549E-15 GRAD(Rho)x -0.2353261E-15 GRAD(Rho)y -0.1206175E-16 GRAD(Rho)z -0.3014082E-16 Laplacian 0.8427656E+00 (-1/4)Del**2(Rho)) -0.2106914E+00 Diamond 0.2796740E+01 Metallicity 0.6933738E+01 Ellipticity 0.2144039E-01 Gb(Abramov) 0.3839407E+00 Vb(Abramov) -0.5571901E+00 Hb(Abramov) -0.1732493E+00 Ex_ueg -0.1025889E+00 Ec_ueg -0.1358129E-01 Delta_ex -0.1004268E+00 Delta_ec 0.1892588E-01 Delta_et -0.2616452E+00 Pxc 0.7553699E+01 Qxc -0.5306320E+01 3,-1 75 3 -1 -2.747568 0.481648 -1.823238 Rho 0.8484008E-01 |GRAD(Rho)| 0.1750779E-15 GRAD(Rho)x -0.5799889E-16 GRAD(Rho)y 0.1515681E-15 GRAD(Rho)z 0.6569249E-16 Laplacian 0.3588755E+00 (-1/4)Del**2(Rho)) -0.8971887E-01 Diamond 0.3663716E+00 Metallicity 0.3145366E+01 Ellipticity 0.1759053E-02 Gb(Abramov) 0.1068457E+00 Vb(Abramov) -0.1239725E+00 Hb(Abramov) -0.1712682E-01 Ex_ueg -0.2753298E-01 Ec_ueg -0.4416270E-02 Delta_ex -0.3368348E-01 Delta_ec 0.1038431E-01 Delta_et -0.1246683E+00 Pxc 0.6234441E+01 Qxc -0.3243690E+01 3,-1 76 3 +1 -2.922039 -0.305240 -0.292842 Rho 0.6182130E-02 |GRAD(Rho)| 0.1573418E-16 GRAD(Rho)x 0.2869923E-17 GRAD(Rho)y -0.1350884E-16 GRAD(Rho)z -0.7539187E-17 Laplacian 0.2588501E-01 (-1/4)Del**2(Rho)) -0.6471254E-02 Diamond 0.5682400E-03 Metallicity 0.5543639E+00 Ellipticity -0.1454406E+01 Gb(Abramov) 0.4912074E-02 Vb(Abramov) -0.3352894E-02 Hb(Abramov) 0.1559180E-02 Ex_ueg -0.8379843E-03 Ec_ueg -0.1981341E-03 Delta_ex -0.1177317E-02 Delta_ec 0.5217020E-03 Delta_et -0.3134448E-02 Pxc 0.4229380E+01 Qxc -0.2256684E+01 3,+1 77 3 -1 -3.238294 -0.047627 3.238954 Rho 0.2346314E+00 |GRAD(Rho)| 0.3532897E-15 GRAD(Rho)x 0.2715926E-15 GRAD(Rho)y -0.3786576E-16 GRAD(Rho)z -0.2227493E-15 Laplacian 0.8634714E+00 (-1/4)Del**2(Rho)) -0.2158678E+00 Diamond 0.2967481E+01 Metallicity 0.7123205E+01 Ellipticity 0.1395395E-02 Gb(Abramov) 0.4001904E+00 Vb(Abramov) -0.5845129E+00 Hb(Abramov) -0.1843225E+00 Ex_ueg -0.1068808E+00 Ec_ueg -0.1406879E-01 Delta_ex -0.1036872E+00 Delta_ec 0.1915994E-01 Delta_et -0.2649936E+00 Pxc 0.7597020E+01 Qxc -0.5411667E+01 3,-1 78 3 +1 -2.928941 0.239503 0.286913 Rho 0.6519826E-02 |GRAD(Rho)| 0.1816191E-16 GRAD(Rho)x -0.1354191E-17 GRAD(Rho)y -0.7147287E-17 GRAD(Rho)z 0.1664143E-16 Laplacian 0.2771295E-01 (-1/4)Del**2(Rho)) -0.6928237E-02 Diamond 0.7676700E-03 Metallicity 0.5657924E+00 Ellipticity -0.1888626E+01 Gb(Abramov) 0.5272148E-02 Vb(Abramov) -0.3616060E-02 Hb(Abramov) 0.1656088E-02 Ex_ueg -0.8995661E-03 Ec_ueg -0.2128922E-03 Delta_ex -0.1350081E-02 Delta_ec 0.6911512E-03 Delta_et -0.4134609E-02 Pxc 0.4225453E+01 Qxc -0.1953380E+01 3,+1 79 3 +3 0.774496 -1.451808 -1.513732 Rho 0.3030099E-02 |GRAD(Rho)| 0.2725394E-15 GRAD(Rho)x 0.1504682E-15 GRAD(Rho)y 0.1670168E-15 GRAD(Rho)z 0.1540857E-15 Laplacian 0.1181889E-01 (-1/4)Del**2(Rho)) -0.2954722E-02 Diamond 0.6197342E-04 Metallicity 0.3699400E+00 Ellipticity -0.8219285E+00 Gb(Abramov) 0.2151993E-02 Vb(Abramov) -0.1349264E-02 Hb(Abramov) 0.8027291E-03 Ex_ueg -0.3238378E-03 Ec_ueg -0.6315056E-04 Delta_ex -0.3929058E-03 Delta_ec 0.1176208E-03 Delta_et -0.6548070E-03 Pxc 0.5128027E+01 Qxc -0.3340445E+01 3,+3 80 3 -1 -1.868567 -2.780156 0.597556 Rho 0.1505879E+00 |GRAD(Rho)| 0.3495047E-15 GRAD(Rho)x -0.1483731E-15 GRAD(Rho)y -0.1078036E-15 GRAD(Rho)z 0.2975186E-15 Laplacian 0.6179243E+00 (-1/4)Del**2(Rho)) -0.1544811E+00 Diamond 0.1253012E+01 Metallicity 0.4753294E+01 Ellipticity 0.2113073E-01 Gb(Abramov) 0.2253697E+00 Vb(Abramov) -0.2962584E+00 Hb(Abramov) -0.7088864E-01 Ex_ueg -0.5917049E-01 Ec_ueg -0.8481159E-02 Delta_ex -0.6637248E-01 Delta_ec 0.1557255E-01 Delta_et -0.2072043E+00 Pxc 0.6976699E+01 Qxc -0.4262146E+01 3,-1 81 3 +1 -1.736727 1.718409 -1.729954 Rho 0.1196998E-01 |GRAD(Rho)| 0.1368766E-13 GRAD(Rho)x -0.1161253E-13 GRAD(Rho)y -0.5483749E-14 GRAD(Rho)z 0.4735985E-14 Laplacian 0.5897151E-01 (-1/4)Del**2(Rho)) -0.1474288E-01 Diamond 0.2335602E-02 Metallicity 0.7319134E+00 Ellipticity -0.1268745E+01 Gb(Abramov) 0.1162700E-01 Vb(Abramov) -0.8511130E-02 Hb(Abramov) 0.3115874E-02 Ex_ueg -0.2022287E-02 Ec_ueg -0.4581832E-03 Delta_ex -0.2891201E-02 Delta_ec 0.7554625E-03 Delta_et -0.5668925E-02 Pxc 0.4413708E+01 Qxc -0.3827062E+01 3,+1 82 3 +1 0.532695 0.468996 1.670658 Rho 0.7810443E-02 |GRAD(Rho)| 0.4095708E-16 GRAD(Rho)x -0.3190132E-16 GRAD(Rho)y 0.2568424E-16 GRAD(Rho)z -0.3291120E-18 Laplacian 0.3012459E-01 (-1/4)Del**2(Rho)) -0.7531147E-02 Diamond 0.7028272E-03 Metallicity 0.7033176E+00 Ellipticity -0.1413687E+01 Gb(Abramov) 0.5903563E-02 Vb(Abramov) -0.4275979E-02 Hb(Abramov) 0.1627584E-02 Ex_ueg -0.1144509E-02 Ec_ueg -0.2697928E-03 Delta_ex -0.1341031E-02 Delta_ec 0.4200130E-03 Delta_et -0.2803588E-02 Pxc 0.4242178E+01 Qxc -0.3192832E+01 3,+1 83 3 +1 -1.801726 -1.741305 1.796894 Rho 0.1208694E-01 |GRAD(Rho)| 0.8215055E-17 GRAD(Rho)x 0.1750563E-17 GRAD(Rho)y 0.2012199E-17 GRAD(Rho)z 0.7770052E-17 Laplacian 0.5941233E-01 (-1/4)Del**2(Rho)) -0.1485308E-01 Diamond 0.2344066E-02 Metallicity 0.7383530E+00 Ellipticity -0.1249776E+01 Gb(Abramov) 0.1172986E-01 Vb(Abramov) -0.8606633E-02 Hb(Abramov) 0.3123224E-02 Ex_ueg -0.2048678E-02 Ec_ueg -0.4635841E-03 Delta_ex -0.2908692E-02 Delta_ec 0.7403663E-03 Delta_et -0.5584903E-02 Pxc 0.4419215E+01 Qxc -0.3928720E+01 3,+1 84 3 -1 -2.770722 1.761339 -0.528831 Rho 0.1794275E+00 |GRAD(Rho)| 0.6075230E-15 GRAD(Rho)x -0.1206175E-17 GRAD(Rho)y -0.3454268E-15 GRAD(Rho)z 0.4997630E-15 Laplacian 0.7428242E+00 (-1/4)Del**2(Rho)) -0.1857061E+00 Diamond 0.1837395E+01 Metallicity 0.5295117E+01 Ellipticity 0.1471492E-01 Gb(Abramov) 0.2876933E+00 Vb(Abramov) -0.3896805E+00 Hb(Abramov) -0.1019872E+00 Ex_ueg -0.7474300E-01 Ec_ueg -0.1035322E-01 Delta_ex -0.8317716E-01 Delta_ec 0.1759426E-01 Delta_et -0.2382088E+00 Pxc 0.7219299E+01 Qxc -0.4727516E+01 3,-1 85 3 +3 -1.109045 1.110140 -1.126441 Rho 0.5493867E-02 |GRAD(Rho)| 0.1583295E-16 GRAD(Rho)x -0.1261311E-16 GRAD(Rho)y 0.9363344E-17 GRAD(Rho)z -0.1979804E-17 Laplacian 0.2141875E-01 (-1/4)Del**2(Rho)) -0.5354688E-02 Diamond 0.1662207E-03 Metallicity 0.5503208E+00 Ellipticity -0.2974994E+00 Gb(Abramov) 0.4060925E-02 Vb(Abramov) -0.2767161E-02 Hb(Abramov) 0.1293763E-02 Ex_ueg -0.7159608E-03 Ec_ueg -0.1682274E-03 Delta_ex -0.7564166E-03 Delta_ec 0.8853789E-04 Delta_et -0.7287748E-03 Pxc 0.4255910E+01 Qxc -0.8543423E+01 3,+3 86 3 -1 -1.745230 1.692289 0.533987 Rho 0.4626095E-01 |GRAD(Rho)| 0.9535835E-16 GRAD(Rho)x 0.5715482E-16 GRAD(Rho)y -0.7617918E-16 GRAD(Rho)z -0.4824276E-17 Laplacian 0.1852055E+00 (-1/4)Del**2(Rho)) -0.4630138E-01 Diamond 0.8335274E-01 Metallicity 0.2218112E+01 Ellipticity 0.3443592E-01 Gb(Abramov) 0.4798453E-01 Vb(Abramov) -0.4966768E-01 Hb(Abramov) -0.1683149E-02 Ex_ueg -0.1226510E-01 Ec_ueg -0.2209260E-02 Delta_ex -0.1489663E-01 Delta_ec 0.5426064E-02 Delta_et -0.5603933E-01 Pxc 0.5551679E+01 Qxc -0.2745384E+01 3,-1 87 3 -1 -1.795496 -1.746792 -0.537000 Rho 0.5543211E-01 |GRAD(Rho)| 0.1634895E-15 GRAD(Rho)x 0.1073165E-15 GRAD(Rho)y 0.1162146E-15 GRAD(Rho)z -0.4130556E-16 Laplacian 0.2204063E+00 (-1/4)Del**2(Rho)) -0.5510157E-01 Diamond 0.1281644E+00 Metallicity 0.2519561E+01 Ellipticity 0.1952506E-01 Gb(Abramov) 0.5987301E-01 Vb(Abramov) -0.6464445E-01 Hb(Abramov) -0.4771441E-02 Ex_ueg -0.1560991E-01 Ec_ueg -0.2717270E-02 Delta_ex -0.1860693E-01 Delta_ec 0.6536440E-02 Delta_et -0.7078111E-01 Pxc 0.5744702E+01 Qxc -0.2846646E+01 3,-1 88 3 +1 -0.036916 -2.271589 -1.038541 Rho 0.6335619E-02 |GRAD(Rho)| 0.2239672E-13 GRAD(Rho)x 0.1592174E-13 GRAD(Rho)y 0.1551037E-13 GRAD(Rho)z 0.2745835E-14 Laplacian 0.2444978E-01 (-1/4)Del**2(Rho)) -0.6112444E-02 Diamond 0.7956743E-03 Metallicity 0.6113923E+00 Ellipticity -0.6084803E+01 Gb(Abramov) 0.4697813E-02 Vb(Abramov) -0.3283182E-02 Hb(Abramov) 0.1414631E-02 Ex_ueg -0.8658389E-03 Ec_ueg -0.2048351E-03 Delta_ex -0.1281358E-02 Delta_ec 0.7839840E-03 Delta_et -0.4565133E-02 Pxc 0.4227005E+01 Qxc -0.1634418E+01 3,+1 89 3 +1 -0.562091 -0.603115 1.689846 Rho 0.8006764E-02 |GRAD(Rho)| 0.1262127E-16 GRAD(Rho)x 0.3936690E-17 GRAD(Rho)y 0.2211572E-17 GRAD(Rho)z -0.1178592E-16 Laplacian 0.3062179E-01 (-1/4)Del**2(Rho)) -0.7655448E-02 Diamond 0.7342832E-03 Metallicity 0.7211258E+00 Ellipticity -0.1423248E+01 Gb(Abramov) 0.6023722E-02 Vb(Abramov) -0.4391996E-02 Hb(Abramov) 0.1631726E-02 Ex_ueg -0.1183026E-02 Ec_ueg -0.2785158E-03 Delta_ex -0.1369375E-02 Delta_ec 0.4227839E-03 Delta_et -0.2843695E-02 Pxc 0.4247610E+01 Qxc -0.3238947E+01 3,+1 90 3 -1 -2.030456 2.981858 0.835840 Rho 0.1403365E+00 |GRAD(Rho)| 0.4179639E-15 GRAD(Rho)x -0.2162983E-15 GRAD(Rho)y -0.8361909E-16 GRAD(Rho)z -0.3477307E-15 Laplacian 0.5555239E+00 (-1/4)Del**2(Rho)) -0.1388810E+00 Diamond 0.1030852E+01 Metallicity 0.4701047E+01 Ellipticity 0.2283208E-01 Gb(Abramov) 0.2014017E+00 Vb(Abramov) -0.2639224E+00 Hb(Abramov) -0.6252069E-01 Ex_ueg -0.5386158E-01 Ec_ueg -0.7827808E-02 Delta_ex -0.5860250E-01 Delta_ec 0.1416498E-01 Delta_et -0.1864147E+00 Pxc 0.6880800E+01 Qxc -0.4137138E+01 3,-1 91 3 +1 -0.561379 1.626628 -0.541682 Rho 0.8568363E-02 |GRAD(Rho)| 0.1215080E-16 GRAD(Rho)x 0.4922173E-17 GRAD(Rho)y -0.2737041E-17 GRAD(Rho)z -0.1076674E-16 Laplacian 0.3309929E-01 (-1/4)Del**2(Rho)) -0.8274823E-02 Diamond 0.8630116E-03 Metallicity 0.7469488E+00 Ellipticity -0.1429771E+01 Gb(Abramov) 0.6546694E-02 Vb(Abramov) -0.4818564E-02 Hb(Abramov) 0.1728130E-02 Ex_ueg -0.1294938E-02 Ec_ueg -0.3035648E-03 Delta_ex -0.1502395E-02 Delta_ec 0.4509421E-03 Delta_et -0.3091303E-02 Pxc 0.4265770E+01 Qxc -0.3331680E+01 3,+1 92 3 +1 0.346901 -1.920244 -0.706249 Rho 0.5962961E-02 |GRAD(Rho)| 0.9141798E-14 GRAD(Rho)x 0.1951013E-14 GRAD(Rho)y 0.5339688E-14 GRAD(Rho)z 0.7159172E-14 Laplacian 0.2301099E-01 (-1/4)Del**2(Rho)) -0.5752748E-02 Diamond 0.5519249E-03 Metallicity 0.5871933E+00 Ellipticity -0.1991107E+01 Gb(Abramov) 0.4398161E-02 Vb(Abramov) -0.3043575E-02 Hb(Abramov) 0.1354587E-02 Ex_ueg -0.7986093E-03 Ec_ueg -0.1885854E-03 Delta_ex -0.1090080E-02 Delta_ec 0.5566198E-03 Delta_et -0.3253121E-02 Pxc 0.4234734E+01 Qxc -0.1958393E+01 3,+1 93 3 -1 -1.768517 -0.619750 -1.805659 Rho 0.5197279E-01 |GRAD(Rho)| 0.5404303E-12 GRAD(Rho)x 0.5084865E-12 GRAD(Rho)y 0.1780093E-12 GRAD(Rho)z 0.4265015E-13 Laplacian 0.2080338E+00 (-1/4)Del**2(Rho)) -0.5200845E-01 Diamond 0.1127667E+00 Metallicity 0.2397577E+01 Ellipticity 0.1877912E-01 Gb(Abramov) 0.5545468E-01 Vb(Abramov) -0.5890091E-01 Hb(Abramov) -0.3446229E-02 Ex_ueg -0.1432473E-01 Ec_ueg -0.2524209E-02 Delta_ex -0.1735767E-01 Delta_ec 0.6314606E-02 Delta_et -0.6729788E-01 Pxc 0.5674938E+01 Qxc -0.2748813E+01 3,-1 94 3 +1 -1.058572 1.409389 2.203800 Rho 0.2509377E-01 |GRAD(Rho)| 0.1683464E-14 GRAD(Rho)x 0.1203235E-14 GRAD(Rho)y 0.1175077E-14 GRAD(Rho)z -0.7395910E-16 Laplacian 0.9517884E-01 (-1/4)Del**2(Rho)) -0.2379471E-01 Diamond 0.1098960E-01 Metallicity 0.1557217E+01 Ellipticity -0.2472676E+01 Gb(Abramov) 0.2203873E-01 Vb(Abramov) -0.2028275E-01 Hb(Abramov) 0.1755980E-02 Ex_ueg -0.5425914E-02 Ec_ueg -0.1093436E-02 Delta_ex -0.5760942E-02 Delta_ec 0.1321255E-02 Delta_et -0.1174102E-01 Pxc 0.4962258E+01 Qxc -0.4360206E+01 3,+1 95 3 -1 -1.846831 -0.551717 2.847928 Rho 0.1599804E+00 |GRAD(Rho)| 0.3238577E-13 GRAD(Rho)x 0.2822910E-13 GRAD(Rho)y -0.2183881E-14 GRAD(Rho)z -0.1572217E-13 Laplacian 0.6627441E+00 (-1/4)Del**2(Rho)) -0.1656860E+00 Diamond 0.1440697E+01 Metallicity 0.4902058E+01 Ellipticity 0.1093176E-01 Gb(Abramov) 0.2458244E+00 Vb(Abramov) -0.3259628E+00 Hb(Abramov) -0.8013841E-01 Ex_ueg -0.6414173E-01 Ec_ueg -0.9085432E-02 Delta_ex -0.7221837E-01 Delta_ec 0.1637638E-01 Delta_et -0.2194553E+00 Pxc 0.7059843E+01 Qxc -0.4409911E+01 3,-1 96 3 +1 -0.327090 -1.006104 -2.738434 Rho 0.3139963E-02 |GRAD(Rho)| 0.4285993E-17 GRAD(Rho)x 0.3424532E-17 GRAD(Rho)y -0.1026291E-17 GRAD(Rho)z 0.2364115E-17 Laplacian 0.1242005E-01 (-1/4)Del**2(Rho)) -0.3105013E-02 Diamond 0.1101927E-03 Metallicity 0.3735630E+00 Ellipticity -0.1266825E+01 Gb(Abramov) 0.2263329E-02 Vb(Abramov) -0.1421644E-02 Hb(Abramov) 0.8416848E-03 Ex_ueg -0.3395870E-03 Ec_ueg -0.6776756E-04 Delta_ex -0.4887600E-03 Delta_ec 0.2526471E-03 Delta_et -0.1249826E-02 Pxc 0.5011056E+01 Qxc -0.1934556E+01 3,+1 97 3 +1 -0.286946 -0.518203 -3.209263 Rho 0.3307115E-02 |GRAD(Rho)| 0.2274723E-17 GRAD(Rho)x -0.2159969E-17 GRAD(Rho)y -0.4997617E-18 GRAD(Rho)z -0.5090540E-18 Laplacian 0.1303956E-01 (-1/4)Del**2(Rho)) -0.3259889E-02 Diamond 0.1433392E-03 Metallicity 0.3879412E+00 Ellipticity -0.1482235E+01 Gb(Abramov) 0.2384034E-02 Vb(Abramov) -0.1508178E-02 Hb(Abramov) 0.8758554E-03 Ex_ueg -0.3639018E-03 Ec_ueg -0.7480472E-04 Delta_ex -0.5498093E-03 Delta_ec 0.3207656E-03 Delta_et -0.1575095E-02 Pxc 0.4864690E+01 Qxc -0.1714053E+01 3,+1 98 3 +1 -0.598896 0.470079 -1.665592 Rho 0.9282240E-02 |GRAD(Rho)| 0.8895258E-16 GRAD(Rho)x -0.7162461E-16 GRAD(Rho)y -0.5260527E-16 GRAD(Rho)z 0.3893890E-17 Laplacian 0.3623951E-01 (-1/4)Del**2(Rho)) -0.9059877E-02 Diamond 0.1099465E-02 Metallicity 0.7795647E+00 Ellipticity -0.1503771E+01 Gb(Abramov) 0.7217045E-02 Vb(Abramov) -0.5374212E-02 Hb(Abramov) 0.1842832E-02 Ex_ueg -0.1440750E-02 Ec_ueg -0.3356078E-03 Delta_ex -0.1697442E-02 Delta_ec 0.5268424E-03 Delta_et -0.3658756E-02 Pxc 0.4292959E+01 Qxc -0.3221917E+01 3,+1 99 3 -1 -1.734472 0.527590 1.764196 Rho 0.4625590E-01 |GRAD(Rho)| 0.1077234E-15 GRAD(Rho)x -0.5634887E-16 GRAD(Rho)y -0.2993287E-16 GRAD(Rho)z 0.8679377E-16 Laplacian 0.1845337E+00 (-1/4)Del**2(Rho)) -0.4613341E-01 Diamond 0.8318942E-01 Metallicity 0.2225783E+01 Ellipticity 0.1452066E-01 Gb(Abramov) 0.4786944E-01 Vb(Abramov) -0.4960547E-01 Hb(Abramov) -0.1736026E-02 Ex_ueg -0.1226332E-01 Ec_ueg -0.2208984E-02 Delta_ex -0.1484942E-01 Delta_ec 0.5419307E-02 Delta_et -0.5597084E-01 Pxc 0.5551565E+01 Qxc -0.2740096E+01 3,-1 100 3 -1 -1.796959 0.489752 -2.824577 Rho 0.1305952E+00 |GRAD(Rho)| 0.1009549E-15 GRAD(Rho)x 0.4743385E-16 GRAD(Rho)y 0.2469270E-16 GRAD(Rho)z -0.8562825E-16 Laplacian 0.5403972E+00 (-1/4)Del**2(Rho)) -0.1350993E+00 Diamond 0.9338536E+00 Metallicity 0.4286589E+01 Ellipticity 0.1530734E-01 Gb(Abramov) 0.1865854E+00 Vb(Abramov) -0.2380715E+00 Hb(Abramov) -0.5148609E-01 Ex_ueg -0.4893517E-01 Ec_ueg -0.7213153E-02 Delta_ex -0.5618774E-01 Delta_ec 0.1432365E-01 Delta_et -0.1870057E+00 Pxc 0.6784159E+01 Qxc -0.3922726E+01 3,-1 101 3 +1 0.138976 2.967010 -0.129929 Rho 0.5691339E-02 |GRAD(Rho)| 0.6356463E-14 GRAD(Rho)x 0.4359598E-14 GRAD(Rho)y 0.4534973E-15 GRAD(Rho)z -0.4603570E-14 Laplacian 0.2301489E-01 (-1/4)Del**2(Rho)) -0.5753722E-02 Diamond 0.6470619E-03 Metallicity 0.5432026E+00 Ellipticity -0.4838488E+01 Gb(Abramov) 0.4356720E-02 Vb(Abramov) -0.2959719E-02 Hb(Abramov) 0.1397001E-02 Ex_ueg -0.7504776E-03 Ec_ueg -0.1767842E-03 Delta_ex -0.1179954E-02 Delta_ec 0.7362165E-03 Delta_et -0.4152054E-02 Pxc 0.4245162E+01 Qxc -0.1602726E+01 3,+1 102 3 -1 -2.021514 0.867356 3.061062 Rho 0.1621714E+00 |GRAD(Rho)| 0.1654708E-14 GRAD(Rho)x -0.9859057E-15 GRAD(Rho)y -0.1199534E-14 GRAD(Rho)z -0.5719844E-15 Laplacian 0.6278954E+00 (-1/4)Del**2(Rho)) -0.1569739E+00 Diamond 0.1395199E+01 Metallicity 0.5292769E+01 Ellipticity 0.3632937E-01 Gb(Abramov) 0.2431203E+00 Vb(Abramov) -0.3292668E+00 Hb(Abramov) -0.8614645E-01 Ex_ueg -0.6531567E-01 Ec_ueg -0.9227158E-02 Delta_ex -0.6872256E-01 Delta_ec 0.1558617E-01 Delta_et -0.2095426E+00 Pxc 0.7078634E+01 Qxc -0.4409201E+01 3,-1 103 3 +1 -1.075301 2.163868 1.391505 Rho 0.2621934E-01 |GRAD(Rho)| 0.7808278E-16 GRAD(Rho)x 0.4163159E-16 GRAD(Rho)y -0.6605391E-16 GRAD(Rho)z 0.7831514E-18 Laplacian 0.1002722E+00 (-1/4)Del**2(Rho)) -0.2506804E-01 Diamond 0.1308029E-01 Metallicity 0.1590264E+01 Ellipticity -0.3072420E+01 Gb(Abramov) 0.2335616E-01 Vb(Abramov) -0.2164428E-01 Hb(Abramov) 0.1711880E-02 Ex_ueg -0.5752821E-02 Ec_ueg -0.1150300E-02 Delta_ex -0.6222269E-02 Delta_ec 0.1533590E-02 Delta_et -0.1372843E-01 Pxc 0.5001147E+01 Qxc -0.4057324E+01 3,+1 104 3 +3 -0.075831 -2.433048 -0.135519 Rho 0.3891896E-02 |GRAD(Rho)| 0.4104708E-17 GRAD(Rho)x -0.4098406E-17 GRAD(Rho)y -0.1539383E-18 GRAD(Rho)z -0.1673161E-18 Laplacian 0.1552230E-01 (-1/4)Del**2(Rho)) -0.3880574E-02 Diamond 0.1041624E-03 Metallicity 0.4274900E+00 Ellipticity -0.3059422E+00 Gb(Abramov) 0.2863534E-02 Vb(Abramov) -0.1846493E-02 Hb(Abramov) 0.1017040E-02 Ex_ueg -0.4521335E-03 Ec_ueg -0.9954274E-04 Delta_ex -0.5358104E-03 Delta_ec 0.1313347E-03 Delta_et -0.8088527E-03 Pxc 0.4542104E+01 Qxc -0.4079732E+01 3,+3 105 3 -1 -0.872680 3.019836 1.976822 Rho 0.1203613E+00 |GRAD(Rho)| 0.5232139E-15 GRAD(Rho)x 0.3399109E-15 GRAD(Rho)y -0.3977599E-15 GRAD(Rho)z -0.6234162E-18 Laplacian 0.4906743E+00 (-1/4)Del**2(Rho)) -0.1226686E+00 Diamond 0.7841556E+00 Metallicity 0.4120639E+01 Ellipticity 0.1336733E-01 Gb(Abramov) 0.1660245E+00 Vb(Abramov) -0.2093805E+00 Hb(Abramov) -0.4335596E-01 Ex_ueg -0.4389019E-01 Ec_ueg -0.6574188E-02 Delta_ex -0.5023728E-01 Delta_ec 0.1362640E-01 Delta_et -0.1760585E+00 Pxc 0.6676140E+01 Qxc -0.3686761E+01 3,-1 106 3 +3 0.013243 -0.060358 2.342330 Rho 0.4251744E-02 |GRAD(Rho)| 0.4611039E-17 GRAD(Rho)x -0.4525140E-17 GRAD(Rho)y -0.6471492E-18 GRAD(Rho)z -0.6049654E-18 Laplacian 0.1698367E-01 (-1/4)Del**2(Rho)) -0.4245916E-02 Diamond 0.1304020E-03 Metallicity 0.4527518E+00 Ellipticity -0.2278449E+00 Gb(Abramov) 0.3151002E-02 Vb(Abramov) -0.2056088E-02 Hb(Abramov) 0.1094914E-02 Ex_ueg -0.5087149E-03 Ec_ueg -0.1148558E-03 Delta_ex -0.6018739E-03 Delta_ec 0.1476301E-03 Delta_et -0.9224248E-03 Pxc 0.4429163E+01 Qxc -0.4076904E+01 3,+3 107 3 +3 -2.291108 -0.025298 0.027489 Rho 0.5458098E-02 |GRAD(Rho)| 0.2995491E-18 GRAD(Rho)x 0.1113507E-18 GRAD(Rho)y 0.1153428E-18 GRAD(Rho)z 0.2530350E-18 Laplacian 0.2257354E-01 (-1/4)Del**2(Rho)) -0.5643386E-02 Diamond 0.2332353E-03 Metallicity 0.5165143E+00 Ellipticity -0.4272164E+00 Gb(Abramov) 0.4248072E-02 Vb(Abramov) -0.2852759E-02 Hb(Abramov) 0.1395314E-02 Ex_ueg -0.7097524E-03 Ec_ueg -0.1666796E-03 Delta_ex -0.8449913E-03 Delta_ec 0.1812463E-03 Delta_et -0.1222380E-02 Pxc 0.4258184E+01 Qxc -0.4662116E+01 3,+3 108 3 +1 0.078679 -0.115242 2.972714 Rho 0.4995304E-02 |GRAD(Rho)| 0.9166005E-15 GRAD(Rho)x 0.6357832E-15 GRAD(Rho)y -0.6561518E-15 GRAD(Rho)z 0.7349061E-16 Laplacian 0.1966710E-01 (-1/4)Del**2(Rho)) -0.4916776E-02 Diamond 0.4662221E-03 Metallicity 0.5114572E+00 Ellipticity -0.4561339E+01 Gb(Abramov) 0.3696971E-02 Vb(Abramov) -0.2477165E-02 Hb(Abramov) 0.1219805E-02 Ex_ueg -0.6306682E-03 Ec_ueg -0.1467107E-03 Delta_ex -0.9852407E-03 Delta_ec 0.6328519E-03 Delta_et -0.3430469E-02 Pxc 0.4298720E+01 Qxc -0.1556827E+01 3,+1 109 3 +1 1.375998 2.121357 -1.067324 Rho 0.2568714E-01 |GRAD(Rho)| 0.1034474E-16 GRAD(Rho)x 0.4426961E-17 GRAD(Rho)y 0.7993849E-17 GRAD(Rho)z 0.4849127E-17 Laplacian 0.9833494E-01 (-1/4)Del**2(Rho)) -0.2458373E-01 Diamond 0.1257236E-01 Metallicity 0.1567106E+01 Ellipticity -0.3102761E+01 Gb(Abramov) 0.2281004E-01 Vb(Abramov) -0.2103635E-01 Hb(Abramov) 0.1773694E-02 Ex_ueg -0.5597654E-02 Ec_ueg -0.1123373E-02 Delta_ex -0.6078903E-02 Delta_ec 0.1523175E-02 Delta_et -0.1356555E-01 Pxc 0.4982901E+01 Qxc -0.3990940E+01 3,+1 110 3 -1 -0.849559 -3.474095 -1.333582 Rho 0.3190461E+00 |GRAD(Rho)| 0.3561382E-15 GRAD(Rho)x -0.2352092E-15 GRAD(Rho)y -0.7583645E-16 GRAD(Rho)z 0.2564369E-15 Laplacian -0.1645699E+01 (-1/4)Del**2(Rho)) 0.4114247E+00 Diamond 0.5659564E+01 Metallicity -0.6237614E+01 Ellipticity 0.2557701E-02 Gb(Abramov) 0.1534350E+00 Vb(Abramov) -0.7182947E+00 Hb(Abramov) -0.5648597E+00 Ex_ueg -0.1610113E+00 Ec_ueg -0.2007488E-01 Delta_ex 0.1639511E+00 Delta_ec 0.5695336E-01 Delta_et -0.1351973E+01 Pxc 0.8020537E+01 Qxc 0.2878690E+01 3,-1 111 3 -1 -0.606942 -2.803469 1.851134 Rho 0.1173481E+00 |GRAD(Rho)| 0.1598032E-13 GRAD(Rho)x 0.2641794E-14 GRAD(Rho)y 0.9366860E-14 GRAD(Rho)z 0.1267492E-13 Laplacian 0.5082352E+00 (-1/4)Del**2(Rho)) -0.1270588E+00 Diamond 0.7910427E+00 Metallicity 0.3813659E+01 Ellipticity 0.4711590E-02 Gb(Abramov) 0.1654657E+00 Vb(Abramov) -0.2038726E+00 Hb(Abramov) -0.3840690E-01 Ex_ueg -0.4243132E-01 Ec_ueg -0.6387427E-02 Delta_ex -0.5176908E-01 Delta_ec 0.1427558E-01 Delta_et -0.1837160E+00 Pxc 0.6642944E+01 Qxc -0.3626407E+01 3,-1 112 3 -1 -0.556603 1.770726 -2.757073 Rho 0.1419461E+00 |GRAD(Rho)| 0.1681446E-15 GRAD(Rho)x -0.3846207E-16 GRAD(Rho)y 0.1623322E-15 GRAD(Rho)z -0.2101319E-16 Laplacian 0.6011951E+00 (-1/4)Del**2(Rho)) -0.1502988E+00 Diamond 0.1131403E+01 Metallicity 0.4427277E+01 Ellipticity 0.1729185E-01 Gb(Abramov) 0.2111015E+00 Vb(Abramov) -0.2719043E+00 Hb(Abramov) -0.6080279E-01 Ex_ueg -0.5468684E-01 Ec_ueg -0.7929956E-02 Delta_ex -0.6360181E-01 Delta_ec 0.1529459E-01 Delta_et -0.2016345E+00 Pxc 0.6896235E+01 Qxc -0.4158452E+01 3,-1 113 3 -1 -0.521745 1.724906 1.727035 Rho 0.4218772E-01 |GRAD(Rho)| 0.1960959E-15 GRAD(Rho)x 0.5560030E-16 GRAD(Rho)y 0.1308505E-15 GRAD(Rho)z 0.1350569E-15 Laplacian 0.1805820E+00 (-1/4)Del**2(Rho)) -0.4514550E-01 Diamond 0.7821591E-01 Metallicity 0.1950962E+01 Ellipticity 0.2065162E-01 Gb(Abramov) 0.4477653E-01 Vb(Abramov) -0.4440755E-01 Hb(Abramov) 0.3689745E-03 Ex_ueg -0.1084675E-01 Ec_ueg -0.1987823E-02 Delta_ex -0.1454569E-01 Delta_ec 0.5923190E-02 Delta_et -0.5979576E-01 Pxc 0.5456599E+01 Qxc -0.2455719E+01 3,-1 114 3 +1 2.165809 1.027378 -1.404253 Rho 0.2537687E-01 |GRAD(Rho)| 0.4071398E-16 GRAD(Rho)x -0.2988482E-16 GRAD(Rho)y -0.2481542E-16 GRAD(Rho)z 0.1219510E-16 Laplacian 0.9816543E-01 (-1/4)Del**2(Rho)) -0.2454136E-01 Diamond 0.1273542E-01 Metallicity 0.1538337E+01 Ellipticity -0.3311556E+01 Gb(Abramov) 0.2265305E-01 Vb(Abramov) -0.2076475E-01 Hb(Abramov) 0.1888306E-02 Ex_ueg -0.5507687E-02 Ec_ueg -0.1107708E-02 Delta_ex -0.6090348E-02 Delta_ec 0.1595323E-02 Delta_et -0.1414938E-01 Pxc 0.4972147E+01 Qxc -0.3817627E+01 3,+1 115 3 +1 1.678654 0.495621 0.535267 Rho 0.7027253E-02 |GRAD(Rho)| 0.7142208E-14 GRAD(Rho)x 0.1353957E-14 GRAD(Rho)y 0.6932724E-14 GRAD(Rho)z 0.1056069E-14 Laplacian 0.2711746E-01 (-1/4)Del**2(Rho)) -0.6779366E-02 Diamond 0.5671467E-03 Metallicity 0.6551490E+00 Ellipticity -0.1408102E+01 Gb(Abramov) 0.5259826E-02 Vb(Abramov) -0.3740287E-02 Hb(Abramov) 0.1519539E-02 Ex_ueg -0.9941055E-03 Ec_ueg -0.2351705E-03 Delta_ex -0.1186996E-02 Delta_ec 0.3982802E-03 Delta_et -0.2569296E-02 Pxc 0.4227169E+01 Qxc -0.2980305E+01 3,+1 116 3 +3 0.021073 2.258050 0.005395 Rho 0.4492727E-02 |GRAD(Rho)| 0.1133974E-15 GRAD(Rho)x -0.5557441E-16 GRAD(Rho)y -0.8292475E-16 GRAD(Rho)z 0.5379530E-16 Laplacian 0.1814753E-01 (-1/4)Del**2(Rho)) -0.4536883E-02 Diamond 0.1390325E-03 Metallicity 0.4644928E+00 Ellipticity -0.2806320E+00 Gb(Abramov) 0.3375813E-02 Vb(Abramov) -0.2214744E-02 Hb(Abramov) 0.1161069E-02 Ex_ueg -0.5475180E-03 Ec_ueg -0.1251485E-03 Delta_ex -0.6403589E-03 Delta_ec 0.1364615E-03 Delta_et -0.8953363E-03 Pxc 0.4374946E+01 Qxc -0.4692599E+01 3,+3 117 3 +3 1.110534 1.069447 1.062288 Rho 0.4420092E-02 |GRAD(Rho)| 0.1896080E-17 GRAD(Rho)x -0.1038578E-17 GRAD(Rho)y 0.1013463E-17 GRAD(Rho)z -0.1220397E-17 Laplacian 0.1688827E-01 (-1/4)Del**2(Rho)) -0.4222066E-02 Diamond 0.1051167E-03 Metallicity 0.4857509E+00 Ellipticity -0.1307164E+00 Gb(Abramov) 0.3156523E-02 Vb(Abramov) -0.2090980E-02 Hb(Abramov) 0.1065543E-02 Ex_ueg -0.5357475E-03 Ec_ueg -0.1220430E-03 Delta_ex -0.5699299E-03 Delta_ec 0.8511238E-04 Delta_et -0.6281227E-03 Pxc 0.4389826E+01 Qxc -0.6696204E+01 3,+3 118 3 -1 -0.873295 2.007451 3.024965 Rho 0.1042378E+00 |GRAD(Rho)| 0.2296540E-15 GRAD(Rho)x 0.3966825E-16 GRAD(Rho)y -0.2130999E-15 GRAD(Rho)z -0.7586705E-16 Laplacian 0.4336998E+00 (-1/4)Del**2(Rho)) -0.1084250E+00 Diamond 0.5859062E+00 Metallicity 0.3668307E+01 Ellipticity 0.7883487E-02 Gb(Abramov) 0.1385726E+00 Vb(Abramov) -0.1687203E+00 Hb(Abramov) -0.3014769E-01 Ex_ueg -0.3623140E-01 Ec_ueg -0.5582468E-02 Delta_ex -0.4298137E-01 Delta_ec 0.1252659E-01 Delta_et -0.1575891E+00 Pxc 0.6490213E+01 Qxc -0.3431211E+01 3,-1 119 3 -1 0.032433 -2.206510 -1.015449 Rho 0.6339947E-02 |GRAD(Rho)| 0.1177305E-16 GRAD(Rho)x -0.4464570E-17 GRAD(Rho)y -0.1086740E-16 GRAD(Rho)z -0.7562683E-18 Laplacian 0.2438269E-01 (-1/4)Del**2(Rho)) -0.6095673E-02 Diamond 0.8742756E-03 Metallicity 0.6137726E+00 Ellipticity 0.5147029E+01 Gb(Abramov) 0.4687341E-02 Vb(Abramov) -0.3279010E-02 Hb(Abramov) 0.1408331E-02 Ex_ueg -0.8666276E-03 Ec_ueg -0.2050242E-03 Delta_ex -0.1332179E-02 Delta_ec 0.8785379E-03 Delta_et -0.5079664E-02 Pxc 0.4226953E+01 Qxc -0.1516359E+01 3,-1 120 3 -1 -0.601156 -1.820254 2.842853 Rho 0.1098713E+00 |GRAD(Rho)| 0.2462843E-15 GRAD(Rho)x -0.1114153E-15 GRAD(Rho)y 0.1575888E-15 GRAD(Rho)z -0.1529979E-15 Laplacian 0.4775859E+00 (-1/4)Del**2(Rho)) -0.1193965E+00 Diamond 0.6906369E+00 Metallicity 0.3636655E+01 Ellipticity 0.1686304E-01 Gb(Abramov) 0.1519650E+00 Vb(Abramov) -0.1845334E+00 Hb(Abramov) -0.3256848E-01 Ex_ueg -0.3886549E-01 Ec_ueg -0.5926805E-02 Delta_ex -0.4796151E-01 Delta_ec 0.1372084E-01 Delta_et -0.1745323E+00 Pxc 0.6557578E+01 Qxc -0.3495522E+01 3,-1 121 3 +1 2.971438 -0.108712 0.141320 Rho 0.5071768E-02 |GRAD(Rho)| 0.2643568E-17 GRAD(Rho)x -0.5981482E-18 GRAD(Rho)y 0.2028651E-17 GRAD(Rho)z -0.1585954E-17 Laplacian 0.2049843E-01 (-1/4)Del**2(Rho)) -0.5124607E-02 Diamond 0.4983852E-03 Metallicity 0.5032976E+00 Ellipticity -0.3767004E+01 Gb(Abramov) 0.3846272E-02 Vb(Abramov) -0.2567937E-02 Hb(Abramov) 0.1278335E-02 Ex_ueg -0.6435726E-03 Ec_ueg -0.1500026E-03 Delta_ex -0.1032096E-02 Delta_ec 0.6635580E-03 Delta_et -0.3611834E-02 Pxc 0.4290411E+01 Qxc -0.1555397E+01 3,+1 122 3 +1 1.154054 -1.306147 2.190765 Rho 0.2436009E-01 |GRAD(Rho)| 0.2169930E-16 GRAD(Rho)x 0.2157746E-16 GRAD(Rho)y 0.5744252E-18 GRAD(Rho)z -0.2223283E-17 Laplacian 0.9241506E-01 (-1/4)Del**2(Rho)) -0.2310377E-01 Diamond 0.1221703E-01 Metallicity 0.1526400E+01 Ellipticity -0.5753989E+01 Gb(Abramov) 0.2128011E-01 Vb(Abramov) -0.1945645E-01 Hb(Abramov) 0.1823656E-02 Ex_ueg -0.5215430E-02 Ec_ueg -0.1056550E-02 Delta_ex -0.5770360E-02 Delta_ec 0.1679408E-02 Delta_et -0.1470274E-01 Pxc 0.4936285E+01 Qxc -0.3435948E+01 3,+1 123 3 +1 0.565805 -1.629555 -1.710415 Rho 0.3084283E-02 |GRAD(Rho)| 0.8960446E-16 GRAD(Rho)x 0.3844817E-16 GRAD(Rho)y 0.5068628E-16 GRAD(Rho)z 0.6309991E-16 Laplacian 0.1181103E-01 (-1/4)Del**2(Rho)) -0.2952758E-02 Diamond 0.8126908E-04 Metallicity 0.3812844E+00 Ellipticity -0.1139035E+01 Gb(Abramov) 0.2156145E-02 Vb(Abramov) -0.1359533E-02 Hb(Abramov) 0.7966125E-03 Ex_ueg -0.3315818E-03 Ec_ueg -0.6542679E-04 Delta_ex -0.4258820E-03 Delta_ec 0.1738590E-03 Delta_et -0.8982945E-03 Pxc 0.5067982E+01 Qxc -0.2449583E+01 3,+1 124 3 -1 -0.554199 2.757461 -1.786257 Rho 0.1406257E+00 |GRAD(Rho)| 0.5620481E-13 GRAD(Rho)x 0.3689041E-13 GRAD(Rho)y -0.8895947E-14 GRAD(Rho)z -0.4146011E-13 Laplacian 0.5871783E+00 (-1/4)Del**2(Rho)) -0.1467946E+00 Diamond 0.1093447E+01 Metallicity 0.4462905E+01 Ellipticity 0.1288861E-01 Gb(Abramov) 0.2070514E+00 Vb(Abramov) -0.2673083E+00 Hb(Abramov) -0.6025686E-01 Ex_ueg -0.5400965E-01 Ec_ueg -0.7846151E-02 Delta_ex -0.6198546E-01 Delta_ec 0.1498702E-01 Delta_et -0.1973404E+00 Pxc 0.6883585E+01 Qxc -0.4135944E+01 3,-1 125 3 -1 0.054839 2.965850 -0.044929 Rho 0.5697106E-02 |GRAD(Rho)| 0.5204899E-17 GRAD(Rho)x 0.4859037E-17 GRAD(Rho)y -0.1077617E-17 GRAD(Rho)z 0.1522983E-17 Laplacian 0.2256798E-01 (-1/4)Del**2(Rho)) -0.5641995E-02 Diamond 0.7011733E-03 Metallicity 0.5548952E+00 Ellipticity 0.4515368E+01 Gb(Abramov) 0.4283116E-02 Vb(Abramov) -0.2924237E-02 Hb(Abramov) 0.1358879E-02 Ex_ueg -0.7514916E-03 Ec_ueg -0.1770344E-03 Delta_ex -0.1208619E-02 Delta_ec 0.8135996E-03 Delta_et -0.4553985E-02 Pxc 0.4244891E+01 Qxc -0.1485521E+01 3,-1 126 3 +3 -0.286757 -0.654486 -2.750813 Rho 0.3062751E-02 |GRAD(Rho)| 0.2227777E-17 GRAD(Rho)x -0.2761214E-18 GRAD(Rho)y -0.4551115E-18 GRAD(Rho)z -0.2163243E-17 Laplacian 0.1218794E-01 (-1/4)Del**2(Rho)) -0.3046984E-02 Diamond 0.9055120E-04 Metallicity 0.3652042E+00 Ellipticity -0.5587847E+00 Gb(Abramov) 0.2216785E-02 Vb(Abramov) -0.1386585E-02 Hb(Abramov) 0.8301994E-03 Ex_ueg -0.3284989E-03 Ec_ueg -0.6452204E-04 Delta_ex -0.4521239E-03 Delta_ec 0.2032317E-03 Delta_et -0.1026880E-02 Pxc 0.5091266E+01 Qxc -0.2224672E+01 3,+3 127 3 -1 -0.563006 -0.543219 -0.519613 Rho 0.1876633E+00 |GRAD(Rho)| 0.3610393E-15 GRAD(Rho)x -0.2602085E-15 GRAD(Rho)y -0.1734723E-15 GRAD(Rho)z -0.1804112E-15 Laplacian 0.5012024E+00 (-1/4)Del**2(Rho)) -0.1253006E+00 Diamond 0.1341335E+01 Metallicity 0.8457314E+01 Ellipticity 0.2736819E-01 Gb(Abramov) 0.2601515E+00 Vb(Abramov) -0.3950024E+00 Hb(Abramov) -0.1348509E+00 Ex_ueg -0.7935196E-01 Ec_ueg -0.1089672E-01 Delta_ex -0.5700686E-01 Delta_ec 0.1216386E-01 Delta_et -0.1667865E+00 Pxc 0.7282191E+01 Qxc -0.4686578E+01 3,-1 128 3 +1 1.590527 -1.997251 -1.987838 Rho 0.6863499E-02 |GRAD(Rho)| 0.1072591E-14 GRAD(Rho)x -0.3814876E-15 GRAD(Rho)y 0.3433253E-15 GRAD(Rho)z -0.9418312E-15 Laplacian 0.3042648E-01 (-1/4)Del**2(Rho)) -0.7606619E-02 Diamond 0.9522654E-03 Metallicity 0.5613980E+00 Ellipticity -0.1953050E+01 Gb(Abramov) 0.5782803E-02 Vb(Abramov) -0.3958986E-02 Hb(Abramov) 0.1823816E-02 Ex_ueg -0.9633391E-03 Ec_ueg -0.2279677E-03 Delta_ex -0.1528624E-02 Delta_ec 0.8119811E-03 Delta_et -0.4904551E-02 Pxc 0.4225771E+01 Qxc -0.1882585E+01 3,+1 129 3 -1 0.519776 1.670679 -1.732906 Rho 0.5168946E-01 |GRAD(Rho)| 0.2837772E-16 GRAD(Rho)x 0.1548164E-16 GRAD(Rho)y -0.1854833E-16 GRAD(Rho)z -0.1488533E-16 Laplacian 0.2083242E+00 (-1/4)Del**2(Rho)) -0.5208106E-01 Diamond 0.1100493E+00 Metallicity 0.2372521E+01 Ellipticity 0.1230493E-01 Gb(Abramov) 0.5531461E-01 Vb(Abramov) -0.5854816E-01 Hb(Abramov) -0.3233549E-02 Ex_ueg -0.1422070E-01 Ec_ueg -0.2508472E-02 Delta_ex -0.1727395E-01 Delta_ec 0.6173575E-02 Delta_et -0.6565484E-01 Pxc 0.5669070E+01 Qxc -0.2798047E+01 3,-1 130 3 -1 -0.513828 0.413131 0.449361 Rho 0.1775835E+00 |GRAD(Rho)| 0.9880312E-16 GRAD(Rho)x 0.3469447E-17 GRAD(Rho)y 0.3122502E-16 GRAD(Rho)z -0.9367507E-16 Laplacian 0.4624662E+00 (-1/4)Del**2(Rho)) -0.1156166E+00 Diamond 0.1169981E+01 Metallicity 0.8359961E+01 Ellipticity 0.1203989E-02 Gb(Abramov) 0.2381693E+00 Vb(Abramov) -0.3607221E+00 Hb(Abramov) -0.1225528E+00 Ex_ueg -0.7372055E-01 Ec_ueg -0.1023206E-01 Delta_ex -0.5196885E-01 Delta_ec 0.1155424E-01 Delta_et -0.1579816E+00 Pxc 0.7204858E+01 Qxc -0.4497816E+01 3,-1 131 3 -1 0.507357 -1.774639 1.727990 Rho 0.4460480E-01 |GRAD(Rho)| 0.1177864E-15 GRAD(Rho)x 0.4140106E-16 GRAD(Rho)y 0.5020491E-16 GRAD(Rho)z -0.9817874E-16 Laplacian 0.1902196E+00 (-1/4)Del**2(Rho)) -0.4755490E-01 Diamond 0.8849537E-01 Metallicity 0.2032328E+01 Ellipticity 0.1530349E-01 Gb(Abramov) 0.4781113E-01 Vb(Abramov) -0.4806736E-01 Hb(Abramov) -0.2562296E-03 Ex_ueg -0.1168317E-01 Ec_ueg -0.2118892E-02 Delta_ex -0.1551325E-01 Delta_ec 0.6204076E-02 Delta_et -0.6358479E-01 Pxc 0.5513809E+01 Qxc -0.2500494E+01 3,-1 132 3 -1 0.012707 -3.377219 -1.239145 Rho 0.2781102E-01 |GRAD(Rho)| 0.1112434E-12 GRAD(Rho)x -0.1099217E-12 GRAD(Rho)y 0.1639392E-13 GRAD(Rho)z 0.4852758E-14 Laplacian 0.8927279E-01 (-1/4)Del**2(Rho)) -0.2231820E-01 Diamond 0.3167259E-01 Metallicity 0.1970556E+01 Ellipticity 0.5782834E-02 Gb(Abramov) 0.2220868E-01 Vb(Abramov) -0.2209915E-01 Hb(Abramov) 0.1095219E-03 Ex_ueg -0.6223111E-02 Ec_ueg -0.1231260E-02 Delta_ex -0.7423356E-02 Delta_ec 0.4568345E-02 Delta_et -0.4091634E-01 Pxc 0.5054263E+01 Qxc -0.1624955E+01 3,-1 133 3 +1 0.525982 1.664845 0.498948 Rho 0.7461342E-02 |GRAD(Rho)| 0.1486563E-16 GRAD(Rho)x 0.1144204E-16 GRAD(Rho)y 0.9388710E-17 GRAD(Rho)z -0.1385227E-17 Laplacian 0.2861213E-01 (-1/4)Del**2(Rho)) -0.7153033E-02 Diamond 0.6281021E-03 Metallicity 0.6861585E+00 Ellipticity -0.1403697E+01 Gb(Abramov) 0.5586708E-02 Vb(Abramov) -0.4020383E-02 Hb(Abramov) 0.1566325E-02 Ex_ueg -0.1076815E-02 Ec_ueg -0.2543251E-03 Delta_ex -0.1259633E-02 Delta_ec 0.3997342E-03 Delta_et -0.2636182E-02 Pxc 0.4234009E+01 Qxc -0.3151177E+01 3,+1 134 3 -1 0.891776 -3.039838 2.048231 Rho 0.1225046E+00 |GRAD(Rho)| 0.3120345E-15 GRAD(Rho)x 0.2683536E-15 GRAD(Rho)y -0.1508803E-15 GRAD(Rho)z 0.5086263E-16 Laplacian 0.5046499E+00 (-1/4)Del**2(Rho)) -0.1261625E+00 Diamond 0.8212772E+00 Metallicity 0.4126137E+01 Ellipticity 0.3555529E-01 Gb(Abramov) 0.1708689E+00 Vb(Abramov) -0.2155754E+00 Hb(Abramov) -0.4470645E-01 Ex_ueg -0.4493536E-01 Ec_ueg -0.6707418E-02 Delta_ex -0.5185182E-01 Delta_ec 0.1389911E-01 Delta_et -0.1800564E+00 Pxc 0.6699354E+01 Qxc -0.3730585E+01 3,-1 135 3 -1 -0.060735 -3.246740 3.272758 Rho 0.2122579E+00 |GRAD(Rho)| 0.9073608E-15 GRAD(Rho)x -0.6057980E-15 GRAD(Rho)y 0.5254044E-15 GRAD(Rho)z 0.4245736E-15 Laplacian 0.8011734E+00 (-1/4)Del**2(Rho)) -0.2002933E+00 Diamond 0.2439228E+01 Metallicity 0.6496207E+01 Ellipticity 0.2234205E-02 Gb(Abramov) 0.3503867E+00 Vb(Abramov) -0.5004801E+00 Hb(Abramov) -0.1500934E+00 Ex_ueg -0.9351263E-01 Ec_ueg -0.1254250E-01 Delta_ex -0.9373151E-01 Delta_ec 0.1828039E-01 Delta_et -0.2514545E+00 Pxc 0.7455659E+01 Qxc -0.5127434E+01 3,-1 136 3 -1 0.866080 -1.985783 3.060590 Rho 0.1167034E+00 |GRAD(Rho)| 0.3203240E-15 GRAD(Rho)x 0.1444564E-15 GRAD(Rho)y -0.2576742E-15 GRAD(Rho)z 0.1238701E-15 Laplacian 0.4811748E+00 (-1/4)Del**2(Rho)) -0.1202937E+00 Diamond 0.7411296E+00 Metallicity 0.3991316E+01 Ellipticity 0.1856380E-01 Gb(Abramov) 0.1602175E+00 Vb(Abramov) -0.2001413E+00 Hb(Abramov) -0.3992378E-01 Ex_ueg -0.4212077E-01 Ec_ueg -0.6347549E-02 Delta_ex -0.4890955E-01 Delta_ec 0.1346166E-01 Delta_et -0.1729575E+00 Pxc 0.6635754E+01 Qxc -0.3633249E+01 3,-1 137 3 -1 0.591758 1.812287 2.783952 Rho 0.1217503E+00 |GRAD(Rho)| 0.3093580E-15 GRAD(Rho)x 0.1782022E-15 GRAD(Rho)y -0.2247551E-15 GRAD(Rho)z 0.1158944E-15 Laplacian 0.5253339E+00 (-1/4)Del**2(Rho)) -0.1313335E+00 Diamond 0.8536460E+00 Metallicity 0.3923087E+01 Ellipticity 0.1414647E-01 Gb(Abramov) 0.1734277E+00 Vb(Abramov) -0.2155220E+00 Hb(Abramov) -0.4209428E-01 Ex_ueg -0.4456684E-01 Ec_ueg -0.6660495E-02 Delta_ex -0.5396423E-01 Delta_ec 0.1460768E-01 Delta_et -0.1892201E+00 Pxc 0.6691221E+01 Qxc -0.3694238E+01 3,-1 138 3 -1 0.852352 2.973923 -1.967720 Rho 0.1435567E+00 |GRAD(Rho)| 0.3049682E-15 GRAD(Rho)x -0.1815632E-15 GRAD(Rho)y -0.1940993E-15 GRAD(Rho)z -0.1495521E-15 Laplacian 0.5627312E+00 (-1/4)Del**2(Rho)) -0.1406828E+00 Diamond 0.1079239E+01 Metallicity 0.4819677E+01 Ellipticity 0.5049995E-01 Gb(Abramov) 0.2067962E+00 Vb(Abramov) -0.2729095E+00 Hb(Abramov) -0.6611336E-01 Ex_ueg -0.5551577E-01 Ec_ueg -0.8032335E-02 Delta_ex -0.5975821E-01 Delta_ec 0.1438518E-01 Delta_et -0.1901937E+00 Pxc 0.6911536E+01 Qxc -0.4154152E+01 3,-1 139 3 -1 0.593822 2.819898 1.784330 Rho 0.1270160E+00 |GRAD(Rho)| 0.4441981E-15 GRAD(Rho)x -0.2242401E-15 GRAD(Rho)y -0.8103734E-16 GRAD(Rho)z 0.3747816E-15 Laplacian 0.5439324E+00 (-1/4)Del**2(Rho)) -0.1359831E+00 Diamond 0.9317506E+00 Metallicity 0.4065983E+01 Ellipticity 0.1446467E-01 Gb(Abramov) 0.1828062E+00 Vb(Abramov) -0.2296294E+00 Hb(Abramov) -0.4682313E-01 Ex_ueg -0.4715520E-01 Ec_ueg -0.6988878E-02 Delta_ex -0.5646073E-01 Delta_ec 0.1501571E-01 Delta_et -0.1960356E+00 Pxc 0.6747177E+01 Qxc -0.3760110E+01 3,-1 140 3 -1 -0.059757 3.165455 -3.181364 Rho 0.2354451E+00 |GRAD(Rho)| 0.4859082E-15 GRAD(Rho)x -0.1322456E-15 GRAD(Rho)y 0.2503965E-15 GRAD(Rho)z -0.3948664E-15 Laplacian 0.8742752E+00 (-1/4)Del**2(Rho)) -0.2185688E+00 Diamond 0.3012542E+01 Metallicity 0.7075888E+01 Ellipticity 0.1470506E-02 Gb(Abramov) 0.4034739E+00 Vb(Abramov) -0.5883791E+00 Hb(Abramov) -0.1849051E+00 Ex_ueg -0.1073753E+00 Ec_ueg -0.1412481E-01 Delta_ex -0.1050542E+00 Delta_ec 0.1933499E-01 Delta_et -0.2672562E+00 Pxc 0.7601894E+01 Qxc -0.5433371E+01 3,-1 141 3 -1 0.080480 3.253502 3.214574 Rho 0.2103104E+00 |GRAD(Rho)| 0.3217465E-15 GRAD(Rho)x -0.5908902E-16 GRAD(Rho)y 0.2268151E-15 GRAD(Rho)z -0.2204183E-15 Laplacian 0.7911581E+00 (-1/4)Del**2(Rho)) -0.1977895E+00 Diamond 0.2385168E+01 Metallicity 0.6478150E+01 Ellipticity 0.2534695E-02 Gb(Abramov) 0.3454114E+00 Vb(Abramov) -0.4930333E+00 Hb(Abramov) -0.1476219E+00 Ex_ueg -0.9237036E-01 Ec_ueg -0.1241095E-01 Delta_ex -0.9235934E-01 Delta_ec 0.1813245E-01 Delta_et -0.2493960E+00 Pxc 0.7442650E+01 Qxc -0.5093594E+01 3,-1 142 3 +3 2.302401 -0.000931 0.048046 Rho 0.4178908E-02 |GRAD(Rho)| 0.5499447E-17 GRAD(Rho)x 0.1442519E-17 GRAD(Rho)y 0.3877925E-17 GRAD(Rho)z 0.3622810E-17 Laplacian 0.1725013E-01 (-1/4)Del**2(Rho)) -0.4312532E-02 Diamond 0.1328298E-03 Metallicity 0.4331040E+00 Ellipticity -0.2765793E+00 Gb(Abramov) 0.3186317E-02 Vb(Abramov) -0.2060102E-02 Hb(Abramov) 0.1126215E-02 Ex_ueg -0.4971287E-03 Ec_ueg -0.1117508E-03 Delta_ex -0.6126910E-03 Delta_ec 0.1572124E-03 Delta_et -0.9674626E-03 Pxc 0.4448546E+01 Qxc -0.3897217E+01 3,+3 143 3 -1 0.408605 -0.546473 0.424420 Rho 0.1807871E+00 |GRAD(Rho)| 0.1789374E-15 GRAD(Rho)x -0.7632783E-16 GRAD(Rho)y -0.1387779E-15 GRAD(Rho)z 0.8326673E-16 Laplacian 0.4763344E+00 (-1/4)Del**2(Rho)) -0.1190836E+00 Diamond 0.1233785E+01 Metallicity 0.8362064E+01 Ellipticity 0.9015294E-02 Gb(Abramov) 0.2453532E+00 Vb(Abramov) -0.3716228E+00 Hb(Abramov) -0.1262696E+00 Ex_ueg -0.7549906E-01 Ec_ueg -0.1044267E-01 Delta_ex -0.5378719E-01 Delta_ec 0.1188123E-01 Delta_et -0.1628886E+00 Pxc 0.7229861E+01 Qxc -0.4527074E+01 3,-1 144 3 -1 0.413520 0.394967 -0.514519 Rho 0.1790265E+00 |GRAD(Rho)| 0.7257007E-12 GRAD(Rho)x -0.4297881E-12 GRAD(Rho)y -0.4140924E-12 GRAD(Rho)z 0.4128572E-12 Laplacian 0.4667100E+00 (-1/4)Del**2(Rho)) -0.1166775E+00 Diamond 0.1198156E+01 Metallicity 0.8396434E+01 Ellipticity 0.2821633E-02 Gb(Abramov) 0.2410642E+00 Vb(Abramov) -0.3654508E+00 Hb(Abramov) -0.1243867E+00 Ex_ueg -0.7452034E-01 Ec_ueg -0.1032685E-01 Delta_ex -0.5259847E-01 Delta_ec 0.1171885E-01 Delta_et -0.1606209E+00 Pxc 0.7216170E+01 Qxc -0.4488364E+01 3,-1 145 3 +1 1.380851 1.016930 -2.193590 Rho 0.2833255E-01 |GRAD(Rho)| 0.1872544E-14 GRAD(Rho)x 0.1308229E-14 GRAD(Rho)y -0.9503860E-15 GRAD(Rho)z -0.9443115E-15 Laplacian 0.1108921E+00 (-1/4)Del**2(Rho)) -0.2772301E-01 Diamond 0.1648702E-01 Metallicity 0.1636272E+01 Ellipticity -0.3441481E+01 Gb(Abramov) 0.2604241E-01 Vb(Abramov) -0.2436180E-01 Hb(Abramov) 0.1680607E-02 Ex_ueg -0.6379195E-02 Ec_ueg -0.1257923E-02 Delta_ex -0.7063824E-02 Delta_ec 0.1759585E-02 Delta_et -0.1602657E-01 Pxc 0.5071212E+01 Qxc -0.4014483E+01 3,+1 146 3 +1 2.034932 2.013152 -2.014762 Rho 0.1225954E-01 |GRAD(Rho)| 0.1590013E-16 GRAD(Rho)x -0.1879096E-17 GRAD(Rho)y 0.1192909E-16 GRAD(Rho)z 0.1034311E-16 Laplacian 0.5802520E-01 (-1/4)Del**2(Rho)) -0.1450630E-01 Diamond 0.1952101E-02 Metallicity 0.7740822E+00 Ellipticity -0.1136775E+01 Gb(Abramov) 0.1154238E-01 Vb(Abramov) -0.8578456E-02 Hb(Abramov) 0.2963922E-02 Ex_ueg -0.2087777E-02 Ec_ueg -0.4715637E-03 Delta_ex -0.2744152E-02 Delta_ec 0.5314184E-03 Delta_et -0.4174081E-02 Pxc 0.4427349E+01 Qxc -0.5163826E+01 3,+1 147 3 -1 0.875160 1.983664 -2.977736 Rho 0.1485097E+00 |GRAD(Rho)| 0.1928464E-13 GRAD(Rho)x -0.8931170E-14 GRAD(Rho)y 0.1535706E-13 GRAD(Rho)z -0.7502828E-14 Laplacian 0.5878048E+00 (-1/4)Del**2(Rho)) -0.1469512E+00 Diamond 0.1170305E+01 Metallicity 0.4882455E+01 Ellipticity 0.6675843E-01 Gb(Abramov) 0.2175479E+00 Vb(Abramov) -0.2881446E+00 Hb(Abramov) -0.7059671E-01 Ex_ueg -0.5808424E-01 Ec_ueg -0.8348185E-02 Delta_ex -0.6290261E-01 Delta_ec 0.1483053E-01 Delta_et -0.1968742E+00 Pxc 0.6957709E+01 Qxc -0.4241427E+01 3,-1 148 3 -1 1.695089 0.429253 -1.779064 Rho 0.4356951E-01 |GRAD(Rho)| 0.3057995E-13 GRAD(Rho)x -0.2068233E-13 GRAD(Rho)y 0.2218077E-13 GRAD(Rho)z -0.3922784E-14 Laplacian 0.1708328E+00 (-1/4)Del**2(Rho)) -0.4270820E-01 Diamond 0.7172380E-01 Metallicity 0.2176104E+01 Ellipticity 0.1782487E-01 Gb(Abramov) 0.4396172E-01 Vb(Abramov) -0.4521524E-01 Hb(Abramov) -0.1253517E-02 Ex_ueg -0.1132301E-01 Ec_ueg -0.2062631E-02 Delta_ex -0.1358007E-01 Delta_ec 0.5086469E-02 Delta_et -0.5172093E-01 Pxc 0.5489596E+01 Qxc -0.2669842E+01 3,-1 149 3 +1 1.775631 1.781071 1.761810 Rho 0.1200915E-01 |GRAD(Rho)| 0.1924484E-16 GRAD(Rho)x -0.1529565E-16 GRAD(Rho)y 0.5875403E-17 GRAD(Rho)z 0.1009390E-16 Laplacian 0.5813796E-01 (-1/4)Del**2(Rho)) -0.1453449E-01 Diamond 0.2248787E-02 Metallicity 0.7464612E+00 Ellipticity -0.1247356E+01 Gb(Abramov) 0.1149790E-01 Vb(Abramov) -0.8461308E-02 Hb(Abramov) 0.3036591E-02 Ex_ueg -0.2031117E-02 Ec_ueg -0.4599915E-03 Delta_ex -0.2834280E-02 Delta_ec 0.7117225E-03 Delta_et -0.5370688E-02 Pxc 0.4415552E+01 Qxc -0.3982282E+01 3,+1 150 3 -1 1.361286 -2.150039 -2.150332 Rho 0.7094734E-02 |GRAD(Rho)| 0.7484445E-17 GRAD(Rho)x -0.1847057E-17 GRAD(Rho)y 0.4757949E-17 GRAD(Rho)z -0.5474233E-17 Laplacian 0.2845627E-01 (-1/4)Del**2(Rho)) -0.7114066E-02 Diamond 0.1365392E-02 Metallicity 0.6343498E+00 Ellipticity 0.5877900E+00 Gb(Abramov) 0.5494845E-02 Vb(Abramov) -0.3875624E-02 Hb(Abramov) 0.1619221E-02 Ex_ueg -0.1006854E-02 Ec_ueg -0.2381424E-03 Delta_ex -0.1692567E-02 Delta_ec 0.1210719E-02 Delta_et -0.7180831E-02 Pxc 0.4227950E+01 Qxc -0.1397985E+01 3,-1 151 3 +1 1.072491 -2.232406 1.391189 Rho 0.2692865E-01 |GRAD(Rho)| 0.7282064E-16 GRAD(Rho)x 0.3570782E-17 GRAD(Rho)y 0.7114013E-16 GRAD(Rho)z -0.1513856E-16 Laplacian 0.1037611E+00 (-1/4)Del**2(Rho)) -0.2594028E-01 Diamond 0.1437685E-01 Metallicity 0.1606705E+01 Ellipticity -0.3456893E+01 Gb(Abramov) 0.2423992E-01 Vb(Abramov) -0.2253956E-01 Hb(Abramov) 0.1700363E-02 Ex_ueg -0.5961258E-02 Ec_ueg -0.1186301E-02 Delta_ex -0.6518517E-02 Delta_ec 0.1645498E-02 Delta_et -0.1481035E-01 Pxc 0.5025082E+01 Qxc -0.3961425E+01 3,+1 152 3 +1 2.962280 0.114254 -0.084464 Rho 0.5086256E-02 |GRAD(Rho)| 0.1146209E-16 GRAD(Rho)x 0.1786884E-17 GRAD(Rho)y 0.1049588E-16 GRAD(Rho)z 0.4245369E-17 Laplacian 0.2050962E-01 (-1/4)Del**2(Rho)) -0.5127404E-02 Diamond 0.5207118E-03 Metallicity 0.5054204E+00 Ellipticity -0.6893186E+01 Gb(Abramov) 0.3850185E-02 Vb(Abramov) -0.2572966E-02 Hb(Abramov) 0.1277219E-02 Ex_ueg -0.6460251E-03 Ec_ueg -0.1506267E-03 Delta_ex -0.1051502E-02 Delta_ec 0.6965549E-03 Delta_et -0.3781888E-02 Pxc 0.4288916E+01 Qxc -0.1509575E+01 3,+1 153 3 +1 1.623322 -0.581236 -0.547584 Rho 0.8839418E-02 |GRAD(Rho)| 0.1159645E-15 GRAD(Rho)x 0.9966197E-16 GRAD(Rho)y 0.4197014E-17 GRAD(Rho)z -0.5914094E-16 Laplacian 0.3533328E-01 (-1/4)Del**2(Rho)) -0.8833321E-02 Diamond 0.9794024E-03 Metallicity 0.7370019E+00 Ellipticity -0.1427106E+01 Gb(Abramov) 0.6973910E-02 Vb(Abramov) -0.5114498E-02 Hb(Abramov) 0.1859411E-02 Ex_ueg -0.1349843E-02 Ec_ueg -0.3157050E-03 Delta_ex -0.1624469E-02 Delta_ec 0.4954711E-03 Delta_et -0.3411886E-02 Pxc 0.4275647E+01 Qxc -0.3278635E+01 3,+1 154 3 -1 1.722557 -0.586946 1.724108 Rho 0.3737158E-01 |GRAD(Rho)| 0.7247967E-13 GRAD(Rho)x 0.4644079E-13 GRAD(Rho)y 0.2732754E-13 GRAD(Rho)z 0.4847434E-13 Laplacian 0.1467849E+00 (-1/4)Del**2(Rho)) -0.3669623E-01 Diamond 0.4838818E-01 Metallicity 0.1961105E+01 Ellipticity 0.6258710E-01 Gb(Abramov) 0.3645835E-01 Vb(Abramov) -0.3622046E-01 Hb(Abramov) 0.2378829E-03 Ex_ueg -0.9227988E-02 Ec_ueg -0.1729746E-02 Delta_ex -0.1112903E-01 Delta_ec 0.4189479E-02 Delta_et -0.4086335E-01 Pxc 0.5334880E+01 Qxc -0.2656422E+01 3,-1 155 3 -1 1.662167 -1.818755 0.477114 Rho 0.4653661E-01 |GRAD(Rho)| 0.2433528E-14 GRAD(Rho)x -0.6273262E-15 GRAD(Rho)y -0.1398753E-14 GRAD(Rho)z 0.1889977E-14 Laplacian 0.1846017E+00 (-1/4)Del**2(Rho)) -0.4615042E-01 Diamond 0.8480073E-01 Metallicity 0.2247512E+01 Ellipticity 0.1605304E-01 Gb(Abramov) 0.4805422E-01 Vb(Abramov) -0.4995801E-01 Hb(Abramov) -0.1903799E-02 Ex_ueg -0.1236264E-01 Ec_ueg -0.2224344E-02 Delta_ex -0.1491985E-01 Delta_ec 0.5496698E-02 Delta_et -0.5687787E-01 Pxc 0.5557883E+01 Qxc -0.2714329E+01 3,-1 156 3 +1 2.146984 -1.405446 1.068191 Rho 0.2651712E-01 |GRAD(Rho)| 0.2279203E-16 GRAD(Rho)x 0.2094710E-16 GRAD(Rho)y -0.1524347E-17 GRAD(Rho)z -0.8852801E-17 Laplacian 0.1048067E+00 (-1/4)Del**2(Rho)) -0.2620168E-01 Diamond 0.1503083E-01 Metallicity 0.1550367E+01 Ellipticity -0.4034127E+01 Gb(Abramov) 0.2423816E-01 Vb(Abramov) -0.2227464E-01 Hb(Abramov) 0.1963521E-02 Ex_ueg -0.5840099E-02 Ec_ueg -0.1165398E-02 Delta_ex -0.6638550E-02 Delta_ec 0.1808053E-02 Delta_et -0.1618497E-01 Pxc 0.5011248E+01 Qxc -0.3671656E+01 3,+1 157 3 -1 2.010103 -0.847791 3.053367 Rho 0.1515307E+00 |GRAD(Rho)| 0.2416423E-15 GRAD(Rho)x -0.2374945E-15 GRAD(Rho)y 0.3214659E-16 GRAD(Rho)z -0.3088621E-16 Laplacian 0.5879769E+00 (-1/4)Del**2(Rho)) -0.1469942E+00 Diamond 0.1207387E+01 Metallicity 0.5047625E+01 Ellipticity 0.2259234E-01 Gb(Abramov) 0.2216581E+00 Vb(Abramov) -0.2963220E+00 Hb(Abramov) -0.7466389E-01 Ex_ueg -0.5966492E-01 Ec_ueg -0.8541570E-02 Delta_ex -0.6331318E-01 Delta_ec 0.1490233E-01 Delta_et -0.1987086E+00 Pxc 0.6985240E+01 Qxc -0.4248543E+01 3,-1 158 3 -1 1.877948 -0.625831 -2.986130 Rho 0.2326235E+00 |GRAD(Rho)| 0.2749266E-15 GRAD(Rho)x 0.2475234E-15 GRAD(Rho)y 0.7155734E-16 GRAD(Rho)z -0.9589768E-16 Laplacian 0.8949779E+00 (-1/4)Del**2(Rho)) -0.2237445E+00 Diamond 0.3017128E+01 Metallicity 0.6774703E+01 Ellipticity 0.1240342E-01 Gb(Abramov) 0.4017967E+00 Vb(Abramov) -0.5798490E+00 Hb(Abramov) -0.1780522E+00 Ex_ueg -0.1056631E+00 Ec_ueg -0.1393069E-01 Delta_ex -0.1070805E+00 Delta_ec 0.1964178E-01 Delta_et -0.2704268E+00 Pxc 0.7584914E+01 Qxc -0.5451671E+01 3,-1 159 3 +1 2.005677 -2.026628 2.053873 Rho 0.1183827E-01 |GRAD(Rho)| 0.1886665E-16 GRAD(Rho)x 0.8484920E-17 GRAD(Rho)y -0.5221979E-17 GRAD(Rho)z -0.1602148E-16 Laplacian 0.5303329E-01 (-1/4)Del**2(Rho)) -0.1325832E-01 Diamond 0.1581836E-02 Metallicity 0.7989967E+00 Ellipticity -0.1109320E+01 Gb(Abramov) 0.1060444E-01 Vb(Abramov) -0.7950559E-02 Hb(Abramov) 0.2653881E-02 Ex_ueg -0.1992673E-02 Ec_ueg -0.4521081E-03 Delta_ex -0.2449195E-02 Delta_ec 0.4235669E-03 Delta_et -0.3370470E-02 Pxc 0.4407514E+01 Qxc -0.5782310E+01 3,+1 160 3 +3 1.916116 -1.947482 1.965768 Rho 0.1179893E-01 |GRAD(Rho)| 0.3664509E-16 GRAD(Rho)x -0.1262757E-16 GRAD(Rho)y 0.2529657E-16 GRAD(Rho)z -0.2331288E-16 Laplacian 0.5241486E-01 (-1/4)Del**2(Rho)) -0.1310371E-01 Diamond 0.1233874E-02 Metallicity 0.8039517E+00 Ellipticity -0.8439560E+00 Gb(Abramov) 0.1049160E-01 Vb(Abramov) -0.7879490E-02 Hb(Abramov) 0.2612113E-02 Ex_ueg -0.1983849E-02 Ec_ueg -0.4502950E-03 Delta_ex -0.2323115E-02 Delta_ec 0.2485320E-03 Delta_et -0.2190677E-02 Pxc 0.4405666E+01 Qxc -0.9347346E+01 3,+3 161 3 -1 1.834491 0.538971 2.798826 Rho 0.1451773E+00 |GRAD(Rho)| 0.4371581E-13 GRAD(Rho)x 0.2350306E-14 GRAD(Rho)y 0.4168658E-13 GRAD(Rho)z -0.1295288E-13 Laplacian 0.5998866E+00 (-1/4)Del**2(Rho)) -0.1499717E+00 Diamond 0.1161324E+01 Metallicity 0.4606545E+01 Ellipticity 0.1477154E-01 Gb(Abramov) 0.2151230E+00 Vb(Abramov) -0.2802743E+00 Hb(Abramov) -0.6515132E-01 Ex_ueg -0.5635297E-01 Ec_ueg -0.8135512E-02 Delta_ex -0.6382926E-01 Delta_ec 0.1520366E-01 Delta_et -0.2011458E+00 Pxc 0.6926788E+01 Qxc -0.4198282E+01 3,-1 162 3 -1 1.989977 0.806384 -3.013556 Rho 0.1204935E+00 |GRAD(Rho)| 0.4287678E-15 GRAD(Rho)x 0.1522017E-15 GRAD(Rho)y -0.3894996E-15 GRAD(Rho)z 0.9469151E-16 Laplacian 0.4611736E+00 (-1/4)Del**2(Rho)) -0.1152934E+00 Diamond 0.7254397E+00 Metallicity 0.4392262E+01 Ellipticity 0.2426963E-01 Gb(Abramov) 0.1612621E+00 Vb(Abramov) -0.2072307E+00 Hb(Abramov) -0.4596866E-01 Ex_ueg -0.4395450E-01 Ec_ueg -0.6582398E-02 Delta_ex -0.4706181E-01 Delta_ec 0.1250514E-01 Delta_et -0.1611267E+00 Pxc 0.6677581E+01 Qxc -0.3763396E+01 3,-1 163 3 -1 1.987503 -3.074415 0.860910 Rho 0.1431207E+00 |GRAD(Rho)| 0.2045697E-13 GRAD(Rho)x 0.1004769E-13 GRAD(Rho)y 0.6673766E-14 GRAD(Rho)z -0.1652248E-13 Laplacian 0.5442537E+00 (-1/4)Del**2(Rho)) -0.1360634E+00 Diamond 0.1051336E+01 Metallicity 0.4958106E+01 Ellipticity 0.1646289E-01 Gb(Abramov) 0.2031451E+00 Vb(Abramov) -0.2702268E+00 Hb(Abramov) -0.6708168E-01 Ex_ueg -0.5529107E-01 Ec_ueg -0.8004604E-02 Delta_ex -0.5787334E-01 Delta_ec 0.1413798E-01 Delta_et -0.1873062E+00 Pxc 0.6907408E+01 Qxc -0.4093467E+01 3,-1 164 3 -1 1.792135 -2.983517 -0.570007 Rho 0.2191956E+00 |GRAD(Rho)| 0.7582729E-15 GRAD(Rho)x 0.6557255E-15 GRAD(Rho)y 0.1897625E-15 GRAD(Rho)z 0.3301396E-15 Laplacian 0.8533848E+00 (-1/4)Del**2(Rho)) -0.2133462E+00 Diamond 0.2674397E+01 Metallicity 0.6434594E+01 Ellipticity 0.1934899E-01 Gb(Abramov) 0.3710302E+00 Vb(Abramov) -0.5287142E+00 Hb(Abramov) -0.1576840E+00 Ex_ueg -0.9760994E-01 Ec_ueg -0.1301283E-01 Delta_ex -0.1005143E+00 Delta_ec 0.1901358E-01 Delta_et -0.2609360E+00 Pxc 0.7501054E+01 Qxc -0.5286448E+01 3,-1 165 3 +3 1.925808 1.891862 -1.904829 Rho 0.1216310E-01 |GRAD(Rho)| 0.4860254E-14 GRAD(Rho)x -0.3011925E-14 GRAD(Rho)y -0.2788267E-14 GRAD(Rho)z 0.2603064E-14 Laplacian 0.5701995E-01 (-1/4)Del**2(Rho)) -0.1425499E-01 Diamond 0.1420928E-02 Metallicity 0.7774281E+00 Ellipticity -0.7788701E+00 Gb(Abramov) 0.1135036E-01 Vb(Abramov) -0.8445738E-02 Hb(Abramov) 0.2904625E-02 Ex_ueg -0.2065907E-02 Ec_ueg -0.4671036E-03 Delta_ex -0.2555481E-02 Delta_ec 0.2807238E-03 Delta_et -0.2462392E-02 Pxc 0.4422804E+01 Qxc -0.9103186E+01 3,+3 166 3 -1 1.742716 1.688458 -0.552432 Rho 0.3704349E-01 |GRAD(Rho)| 0.7425402E-16 GRAD(Rho)x -0.6064121E-16 GRAD(Rho)y -0.2022609E-16 GRAD(Rho)z -0.3777841E-16 Laplacian 0.1454155E+00 (-1/4)Del**2(Rho)) -0.3635386E-01 Diamond 0.4748165E-01 Metallicity 0.1950694E+01 Ellipticity 0.5489146E-01 Gb(Abramov) 0.3605512E-01 Vb(Abramov) -0.3575637E-01 Hb(Abramov) 0.2987468E-03 Ex_ueg -0.9120127E-02 Ec_ueg -0.1712323E-02 Delta_ex -0.1100854E-01 Delta_ec 0.4164013E-02 Delta_et -0.4051958E-01 Pxc 0.5326173E+01 Qxc -0.2643733E+01 3,-1 167 3 -1 1.848928 2.797130 0.546639 Rho 0.1434151E+00 |GRAD(Rho)| 0.7429114E-15 GRAD(Rho)x 0.6281596E-15 GRAD(Rho)y -0.9175061E-16 GRAD(Rho)z -0.3858947E-15 Laplacian 0.5986925E+00 (-1/4)Del**2(Rho)) -0.1496731E+00 Diamond 0.1142748E+01 Metallicity 0.4522732E+01 Ellipticity 0.1232079E-01 Gb(Abramov) 0.2126040E+00 Vb(Abramov) -0.2755349E+00 Hb(Abramov) -0.6293086E-01 Ex_ueg -0.5544277E-01 Ec_ueg -0.8023328E-02 Delta_ex -0.6351837E-01 Delta_ec 0.1523078E-01 Delta_et -0.2011771E+00 Pxc 0.6910197E+01 Qxc -0.4170395E+01 3,-1 168 3 -1 2.004911 2.985211 -0.840839 Rho 0.1283792E+00 |GRAD(Rho)| 0.1602532E-15 GRAD(Rho)x -0.2412350E-16 GRAD(Rho)y 0.1580225E-15 GRAD(Rho)z -0.1131636E-16 Laplacian 0.5001386E+00 (-1/4)Del**2(Rho)) -0.1250347E+00 Diamond 0.8434943E+00 Metallicity 0.4501397E+01 Ellipticity 0.2484504E-01 Gb(Abramov) 0.1771615E+00 Vb(Abramov) -0.2292884E+00 Hb(Abramov) -0.5212688E-01 Ex_ueg -0.4783121E-01 Ec_ueg -0.7074199E-02 Delta_ex -0.5174914E-01 Delta_ec 0.1324058E-01 Delta_et -0.1722514E+00 Pxc 0.6761360E+01 Qxc -0.3908374E+01 3,-1 169 3 -1 2.722691 -1.866825 -0.586373 Rho 0.1284590E+00 |GRAD(Rho)| 0.4128041E-15 GRAD(Rho)x -0.1088200E-15 GRAD(Rho)y -0.3670431E-15 GRAD(Rho)z 0.1544175E-15 Laplacian 0.5296473E+00 (-1/4)Del**2(Rho)) -0.1324118E+00 Diamond 0.8942794E+00 Metallicity 0.4255010E+01 Ellipticity 0.7305517E-02 Gb(Abramov) 0.1821768E+00 Vb(Abramov) -0.2319419E+00 Hb(Abramov) -0.4976501E-01 Ex_ueg -0.4787085E-01 Ec_ueg -0.7079196E-02 Delta_ex -0.5481488E-01 Delta_ec 0.1402739E-01 Delta_et -0.1825200E+00 Pxc 0.6762187E+01 Qxc -0.3907702E+01 3,-1 170 3 -1 2.969168 0.802690 -2.004856 Rho 0.8738020E-01 |GRAD(Rho)| 0.1561639E-12 GRAD(Rho)x 0.6327952E-13 GRAD(Rho)y -0.1291408E-12 GRAD(Rho)z -0.6087292E-13 Laplacian 0.3511204E+00 (-1/4)Del**2(Rho)) -0.8778011E-01 Diamond 0.3671552E+00 Metallicity 0.3376853E+01 Ellipticity 0.7869406E-02 Gb(Abramov) 0.1079235E+00 Vb(Abramov) -0.1280669E+00 Hb(Abramov) -0.2014338E-01 Ex_ueg -0.2863754E-01 Ec_ueg -0.4567158E-02 Delta_ex -0.3308954E-01 Delta_ec 0.9938876E-02 Delta_et -0.1199316E+00 Pxc 0.6270321E+01 Qxc -0.3329305E+01 3,-1 171 3 -1 2.996061 -0.851056 2.010369 Rho 0.1682096E+00 |GRAD(Rho)| 0.3129612E-11 GRAD(Rho)x 0.1314096E-11 GRAD(Rho)y -0.2218181E-11 GRAD(Rho)z -0.1774063E-11 Laplacian 0.6601738E+00 (-1/4)Del**2(Rho)) -0.1650435E+00 Diamond 0.1524230E+01 Metallicity 0.5350233E+01 Ellipticity 0.5031243E-01 Gb(Abramov) 0.2571991E+00 Vb(Abramov) -0.3493548E+00 Hb(Abramov) -0.9215566E-01 Ex_ueg -0.6857818E-01 Ec_ueg -0.9619204E-02 Delta_ex -0.7284330E-01 Delta_ec 0.1610449E-01 Delta_et -0.2171177E+00 Pxc 0.7129299E+01 Qxc -0.4523168E+01 3,-1 172 3 -1 2.748515 -0.635622 -1.823985 Rho 0.1461588E+00 |GRAD(Rho)| 0.1677055E-15 GRAD(Rho)x -0.3958693E-16 GRAD(Rho)y 0.1366501E-15 GRAD(Rho)z -0.8879616E-16 Laplacian 0.5976383E+00 (-1/4)Del**2(Rho)) -0.1494096E+00 Diamond 0.1175708E+01 Metallicity 0.4676090E+01 Ellipticity 0.8626359E-02 Gb(Abramov) 0.2160485E+00 Vb(Abramov) -0.2826874E+00 Hb(Abramov) -0.6663890E-01 Ex_ueg -0.5686148E-01 Ec_ueg -0.8198074E-02 Delta_ex -0.6379148E-01 Delta_ec 0.1529333E-01 Delta_et -0.2029109E+00 Pxc 0.6935956E+01 Qxc -0.4171197E+01 3,-1 173 3 -1 3.259384 -0.104167 -3.197498 Rho 0.2272503E+00 |GRAD(Rho)| 0.6749069E-15 GRAD(Rho)x -0.4842047E-15 GRAD(Rho)y 0.6079664E-16 GRAD(Rho)z 0.4662069E-15 Laplacian 0.8345560E+00 (-1/4)Del**2(Rho)) -0.2086390E+00 Diamond 0.2769452E+01 Metallicity 0.6987658E+01 Ellipticity 0.1752712E-01 Gb(Abramov) 0.3820757E+00 Vb(Abramov) -0.5555123E+00 Hb(Abramov) -0.1734367E+00 Ex_ueg -0.1024214E+00 Ec_ueg -0.1356221E-01 Delta_ex -0.9943998E-01 Delta_ec 0.1878941E-01 Delta_et -0.2599128E+00 Pxc 0.7551971E+01 Qxc -0.5292341E+01 3,-1 174 3 -1 2.964261 0.042418 -0.010614 Rho 0.5088594E-02 |GRAD(Rho)| 0.3777365E-15 GRAD(Rho)x 0.1271220E-16 GRAD(Rho)y 0.3624913E-15 GRAD(Rho)z -0.1054674E-15 Laplacian 0.2031039E-01 (-1/4)Del**2(Rho)) -0.5077596E-02 Diamond 0.5503023E-03 Metallicity 0.5107691E+00 Ellipticity 0.8008926E+01 Gb(Abramov) 0.3817311E-02 Vb(Abramov) -0.2557025E-02 Hb(Abramov) 0.1260286E-02 Ex_ueg -0.6464209E-03 Ec_ueg -0.1507273E-03 Delta_ex -0.1072518E-02 Delta_ec 0.7453863E-03 Delta_et -0.4026776E-02 Pxc 0.4288678E+01 Qxc -0.1438875E+01 3,-1 175 3 -1 2.809785 0.565268 1.836756 Rho 0.1251674E+00 |GRAD(Rho)| 0.2522945E-15 GRAD(Rho)x -0.8050879E-16 GRAD(Rho)y -0.1261605E-15 GRAD(Rho)z 0.2031117E-15 Laplacian 0.5240493E+00 (-1/4)Del**2(Rho)) -0.1310123E+00 Diamond 0.8557572E+00 Metallicity 0.4118380E+01 Ellipticity 0.1111319E-01 Gb(Abramov) 0.1772680E+00 Vb(Abramov) -0.2235236E+00 Hb(Abramov) -0.4625565E-01 Ex_ueg -0.4624237E-01 Ec_ueg -0.6873380E-02 Delta_ex -0.5387470E-01 Delta_ec 0.1392180E-01 Delta_et -0.1802868E+00 Pxc 0.6727748E+01 Qxc -0.3869809E+01 3,-1 176 3 -1 3.194624 -3.252379 -0.085792 Rho 0.2284592E+00 |GRAD(Rho)| 0.2957403E-15 GRAD(Rho)x -0.2943609E-15 GRAD(Rho)y -0.2851452E-16 GRAD(Rho)z -0.9486769E-18 Laplacian 0.8429829E+00 (-1/4)Del**2(Rho)) -0.2107457E+00 Diamond 0.2809422E+01 Metallicity 0.6979251E+01 Ellipticity 0.1313931E-01 Gb(Abramov) 0.3856384E+00 Vb(Abramov) -0.5605310E+00 Hb(Abramov) -0.1748926E+00 Ex_ueg -0.1031486E+00 Ec_ueg -0.1364498E-01 Delta_ex -0.1005489E+00 Delta_ec 0.1889009E-01 Delta_et -0.2611255E+00 Pxc 0.7559453E+01 Qxc -0.5322836E+01 3,-1 177 3 -1 3.240826 0.047817 3.224600 Rho 0.2339595E+00 |GRAD(Rho)| 0.5066918E-14 GRAD(Rho)x 0.3735293E-14 GRAD(Rho)y 0.3329856E-14 GRAD(Rho)z -0.7958044E-15 Laplacian 0.8487505E+00 (-1/4)Del**2(Rho)) -0.2121876E+00 Diamond 0.2918338E+01 Metallicity 0.7212195E+01 Ellipticity 0.5998903E-02 Gb(Abramov) 0.3965148E+00 Vb(Abramov) -0.5808420E+00 Hb(Abramov) -0.1843272E+00 Ex_ueg -0.1064729E+00 Ec_ueg -0.1402255E-01 Delta_ex -0.1019067E+00 Delta_ec 0.1896221E-01 Delta_et -0.2627135E+00 Pxc 0.7592980E+01 Qxc -0.5374200E+01 3,-1 178 3 -1 2.823920 1.814595 0.584190 Rho 0.1488194E+00 |GRAD(Rho)| 0.9297756E-12 GRAD(Rho)x -0.1130748E-12 GRAD(Rho)y 0.6759581E-12 GRAD(Rho)z -0.6283132E-12 Laplacian 0.6170676E+00 (-1/4)Del**2(Rho)) -0.1542669E+00 Diamond 0.1235503E+01 Metallicity 0.4667092E+01 Ellipticity 0.1652271E-01 Gb(Abramov) 0.2228409E+00 Vb(Abramov) -0.2914149E+00 Hb(Abramov) -0.6857399E-01 Ex_ueg -0.5824578E-01 Ec_ueg -0.8367981E-02 Delta_ex -0.6610678E-01 Delta_ec 0.1563014E-01 Delta_et -0.2077083E+00 Pxc 0.6960553E+01 Qxc -0.4229443E+01 3,-1 179 3 -1 3.018150 1.999748 -0.838323 Rho 0.1721134E+00 |GRAD(Rho)| 0.2254072E-15 GRAD(Rho)x 0.6708501E-17 GRAD(Rho)y 0.1011019E-16 GRAD(Rho)z -0.2250804E-15 Laplacian 0.6773618E+00 (-1/4)Del**2(Rho)) -0.1693405E+00 Diamond 0.1607926E+01 Metallicity 0.5417723E+01 Ellipticity 0.4607136E-01 Gb(Abramov) 0.2658003E+00 Vb(Abramov) -0.3622600E+00 Hb(Abramov) -0.9645979E-01 Ex_ueg -0.7070843E-01 Ec_ueg -0.9873810E-02 Delta_ex -0.7517306E-01 Delta_ec 0.1643042E-01 Delta_et -0.2221014E+00 Pxc 0.7161211E+01 Qxc -0.4575238E+01 3,-1 180 3 -1 2.935804 -2.025641 0.824259 Rho 0.9047830E-01 |GRAD(Rho)| 0.2239062E-15 GRAD(Rho)x 0.3507902E-16 GRAD(Rho)y -0.2200625E-15 GRAD(Rho)z 0.2181618E-16 Laplacian 0.3574130E+00 (-1/4)Del**2(Rho)) -0.8935325E-01 Diamond 0.3901821E+00 Metallicity 0.3515741E+01 Ellipticity 0.4463516E-02 Gb(Abramov) 0.1119260E+00 Vb(Abramov) -0.1344987E+00 Hb(Abramov) -0.2257273E-01 Ex_ueg -0.2999929E-01 Ec_ueg -0.4751966E-02 Delta_ex -0.3396074E-01 Delta_ec 0.1005459E-01 Delta_et -0.1222337E+00 Pxc 0.6313027E+01 Qxc -0.3377636E+01 3,-1 181 3 -1 -2.173233 -0.858657 -3.287379 Rho 0.2275580E+00 |GRAD(Rho)| 0.7742607E-15 GRAD(Rho)x -0.3326874E-15 GRAD(Rho)y 0.5975580E-15 GRAD(Rho)z 0.3629367E-15 Laplacian 0.8853437E+00 (-1/4)Del**2(Rho)) -0.2213359E+00 Diamond 0.2894496E+01 Metallicity 0.6601683E+01 Ellipticity 0.1366856E-01 Gb(Abramov) 0.3910889E+00 Vb(Abramov) -0.5608419E+00 Hb(Abramov) -0.1697530E+00 Ex_ueg -0.1026064E+00 Ec_ueg -0.1358327E-01 Delta_ex -0.1052526E+00 Delta_ec 0.1943248E-01 Delta_et -0.2668005E+00 Pxc 0.7553879E+01 Qxc -0.5416326E+01 3,-1 182 3 -1 3.250589 3.206687 0.060125 Rho 0.2339824E+00 |GRAD(Rho)| 0.5614186E-08 GRAD(Rho)x 0.3841292E-08 GRAD(Rho)y 0.3977961E-08 GRAD(Rho)z 0.9692188E-09 Laplacian 0.8481865E+00 (-1/4)Del**2(Rho)) -0.2120466E+00 Diamond 0.2916761E+01 Metallicity 0.7218173E+01 Ellipticity 0.6551218E-02 Gb(Abramov) 0.3964626E+00 Vb(Abramov) -0.5808786E+00 Hb(Abramov) -0.1844160E+00 Ex_ueg -0.1064869E+00 Ec_ueg -0.1402413E-01 Delta_ex -0.1018417E+00 Delta_ec 0.1894923E-01 Delta_et -0.2625355E+00 Pxc 0.7593119E+01 Qxc -0.5374450E+01 3,-1 183 3 -1 -3.005316 -0.935255 -2.064310 Rho 0.1349427E+00 |GRAD(Rho)| 0.4786551E-13 GRAD(Rho)x 0.2561137E-13 GRAD(Rho)y -0.7869465E-14 GRAD(Rho)z -0.3966405E-13 Laplacian 0.5102699E+00 (-1/4)Del**2(Rho)) -0.1275675E+00 Diamond 0.9254018E+00 Metallicity 0.4794339E+01 Ellipticity 0.3474716E-01 Gb(Abramov) 0.1869786E+00 Vb(Abramov) -0.2463897E+00 Hb(Abramov) -0.5941113E-01 Ex_ueg -0.5111921E-01 Ec_ueg -0.7486712E-02 Delta_ex -0.5357042E-01 Delta_ec 0.1358804E-01 Delta_et -0.1786697E+00 Pxc 0.6827992E+01 Qxc -0.3942470E+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 78 131 120 111 136 134 135 143 127 144 130 129 112 124 147 138 140 113 137 139 118 105 141 155 169 164 180 163 176 166 178 167 179 168 182 86 84 56 65 90 60 87 71 80 58 54 61 93 75 100 183 181 74 99 73 95 59 102 77 154 175 161 171 157 177 148 172 158 170 162 173 119 72 174 150 70 125 132 110 1 1 1 1 1 1 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 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 17 18 21 21 25 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 28 19 20 28 36 27 52 52 2.407763 2.029986 2.004145 2.016362 1.997939 1.790569 1.711389 1.694671 1.716031 1.719005 2.355006 1.933275 1.939498 1.927902 1.941719 1.750308 2.427089 1.991071 1.974487 2.060670 2.007546 1.794169 2.397547 1.974529 1.776466 2.129754 1.945518 1.762147 2.494946 1.916605 1.933811 1.871605 1.986150 1.753207 2.402377 1.846598 1.961234 1.963618 1.952706 1.756901 2.326101 1.924299 1.915357 1.961970 1.963060 1.751034 2.346171 2.142780 1.966333 1.968539 1.762678 1.763918 2.401696 1.982468 1.890362 1.966574 1.895054 1.751881 2.491478 1.983969 1.929635 1.880551 1.920877 1.753245 2.425813 1.923913 1.755537 2.143266 2.012843 1.764337 3.199611 3.151471 3.305411 3.065079 3.261106 3.253662 1.885338 0.997231 2.409961 2.030166 2.004451 2.016749 1.998354 1.790577 1.711404 1.694725 1.716046 1.719010 2.356754 1.933733 1.940011 1.928517 1.942307 1.750319 2.429176 1.991355 1.974756 2.060966 2.007888 1.794169 2.399335 1.974943 1.776548 2.130281 1.946015 1.762173 2.496415 1.917058 1.934182 1.872061 1.986688 1.753217 2.403972 1.846926 1.961585 1.964121 1.953244 1.756916 2.328122 1.924780 1.915684 1.962642 1.964100 1.751052 2.348433 2.143153 1.966737 1.969114 1.762708 1.763944 2.403495 1.982853 1.890700 1.967188 1.895483 1.751890 2.492964 1.984367 1.930030 1.881048 1.921331 1.753259 2.427339 1.924328 1.755593 2.143788 2.013421 1.764367 3.205810 3.155817 3.309390 3.074972 3.263088 3.258494 1.887650 0.997331 30 28 27 29 29 24 24 24 22 22 30 27 26 28 29 23 29 27 27 29 28 23 29 26 24 30 26 25 30 28 27 27 28 25 30 26 27 26 27 24 30 29 28 28 28 24 30 28 27 27 24 24 30 26 28 28 28 24 30 28 28 26 26 25 28 27 24 29 26 25 35 35 35 33 35 35 26 19 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 Ta As W Ta W W W W W W W W 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 H 2.2241 2.4920 2.4430 2.2335 2.3531 2.4229 2.4301 2.4386 2.3766 2.4381 2.4211 2.3289 -1.1117 -1.0268 -1.1163 -1.1134 -0.9645 -0.9936 -0.9462 -0.9757 -0.7842 -0.9916 -0.9817 -0.9749 -0.9698 -0.9855 -0.9911 -0.8456 -0.9805 -1.0069 -0.9809 -0.9926 -1.0046 -0.9907 -0.9945 -0.8267 -0.8293 -1.0166 -1.0170 -0.9855 -0.9329 -0.8685 -0.8294 -0.9439 -0.8647 -0.8462 -0.8528 -0.8316 -0.8614 -0.8396 -0.8470 0.3144 2.1021 0.8380 2.0976 2.1000 2.1307 2.1020 2.0993 2.1177 2.1291 2.1023 2.1065 2.1312 1.9372 1.9476 1.9373 1.9332 1.9304 1.9286 1.9369 1.9283 1.9628 1.9267 1.9281 1.9293 1.9289 1.9268 1.9270 1.9604 1.9396 1.9367 1.9404 1.9374 1.9348 1.9376 1.9380 1.9530 1.8746 1.9346 1.9341 1.9369 1.9423 1.9526 1.9587 1.9406 1.9537 1.9569 1.9554 1.9586 1.9521 1.9581 1.9570 0.5469 6.0753 1.1279 6.0964 6.0685 6.1153 6.1001 6.0949 6.1058 6.0968 6.0959 6.1018 6.1168 5.1380 5.0414 5.1417 5.1438 5.0052 5.0364 4.9800 5.0185 4.7869 5.0385 5.0251 5.0180 5.0119 5.0312 5.0372 4.8532 5.0126 5.0403 5.0120 5.0250 5.0409 5.0229 5.0274 4.8420 4.9251 5.0549 5.0543 5.0183 4.9638 4.8845 4.8372 4.9769 4.8794 4.8563 4.8650 4.8399 4.8778 4.8484 4.8571 0.1387 2.5641 10.5420 3.3335 2.5636 3.3721 3.3456 3.3458 3.3084 3.3688 3.3341 3.3412 3.3946 0.0365 0.0378 0.0373 0.0364 0.0289 0.0286 0.0293 0.0290 0.0346 0.0263 0.0285 0.0276 0.0290 0.0275 0.0269 0.0320 0.0283 0.0298 0.0285 0.0302 0.0289 0.0302 0.0291 0.0317 0.0296 0.0272 0.0285 0.0304 0.0268 0.0313 0.0334 0.0264 0.0316 0.0330 0.0323 0.0331 0.0314 0.0331 0.0329 0.0000 14.0344 0.0000 14.0296 14.0345 14.0287 14.0295 14.0298 14.0295 14.0288 14.0296 14.0294 14.0285 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 Ta As W Ta W W W W W W W W 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 H 2.368584 2.315416 2.508389 2.365401 2.473034 2.495213 2.493873 2.521119 2.493105 2.500085 2.495245 2.463462 -1.092246 -1.028162 -1.086754 -1.097444 -0.984070 -0.997829 -0.977745 -0.990500 -0.854876 -1.017194 -0.983643 -0.997911 -0.988453 -1.003267 -1.014547 -0.838975 -0.988244 -0.982113 -0.988273 -0.987243 -1.005959 -0.980453 -0.995686 -0.880742 -0.645537 -1.018917 -1.014489 -0.981532 -1.014291 -0.924597 -0.873633 -1.029467 -0.919786 -0.894084 -0.903804 -0.874538 -0.914137 -0.885172 -0.895087 0.058470 1.844424 1.730557 1.930996 1.838541 1.911821 1.924368 1.916666 1.948778 1.935654 1.929361 1.928646 1.923871 -0.722108 -0.691534 -0.716334 -0.729263 -0.734269 -0.741771 -0.748397 -0.746802 -0.749337 -0.770914 -0.724753 -0.770085 -0.742845 -0.760461 -0.771700 -0.703706 -0.836783 -0.802402 -0.839270 -0.819522 -0.847452 -0.814949 -0.845337 -0.795297 -0.850488 -0.863329 -0.849999 -0.818645 -0.951091 -0.846732 -0.790096 -0.969245 -0.842731 -0.811336 -0.821623 -0.781173 -0.840299 -0.800112 -0.812656 0.311162 1.960510 1.674856 2.042611 1.957155 2.010926 2.035172 2.026591 2.063677 2.033376 2.040235 2.040924 2.015434 -0.792087 -0.761246 -0.789569 -0.798000 -0.822544 -0.824073 -0.813842 -0.833746 -0.757627 -0.858738 -0.820924 -0.843916 -0.821939 -0.873913 -0.856408 -0.766521 -0.866195 -0.842516 -0.866020 -0.860277 -0.875412 -0.857210 -0.868830 -0.776262 -0.844730 -0.901491 -0.894381 -0.846855 -0.922915 -0.819808 -0.755781 -0.944797 -0.809568 -0.777594 -0.786097 -0.759317 -0.824637 -0.764831 -0.778609 0.377763 -0.78899695 -1.65564174 -5.60430377 5.89676916 -5.00710722 2.76326254 -5.32656686 7.18312508 10.26268358 -2.17601786 -374.0096 414.6888 -12.9390 -414.8524 -76.0306 -463.1427 Jun19-2024 12:48:12 Nodes: 1 Procs: 1 Jun19-2024 12:48:15 Nodes: 1 Procs: 1 0 Jun19-2024 12:48:18 Nodes: 1 Procs: 1 Jun19-2024 12:48:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 12:48:22 Nodes: 1 Procs: 1 Jun19-2024 12:48:25 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 12:48:29 Nodes: 1 Procs: 1 Jun19-2024 12:48:31 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 12:48:33 Nodes: 1 Procs: 1 Jun19-2024 12:48:36 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun19-2024 12:48:42 Nodes: 1 Procs: 5 *** (NO TITLE) *** -8 -16.48429577 -16.85850791 -16.83160453 -16.68675089 -16.85854589 -16.97503973 -16.97216646 -16.98137792 -16.99451823 -16.99778538 -17.00306269 -17.00999153 -17.01344819 -17.01516631 -17.01814539 -17.01925671 -17.01950518 -17.01980725 -17.01989993 -17.02000889 -17.02008748 -17.02014696 -17.02016665 -17.02018294 GEOMETRY CONVERGED