ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 12:31:13 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.54 0.04 1.40 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 12:31:13 Nodes: 1 Procs: 1 Jun19-2024 12:31:15 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 12:31:18 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.04 1.69 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 12:31:13 Nodes: 1 Procs: 1 Jun19-2024 12:31:15 Nodes: 1 Procs: 1 0 Jun19-2024 12:31:18 Nodes: 1 Procs: 1 Jun19-2024 12:31:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 12:31:23 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.79 0.06 3.08 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 12:31:13 Nodes: 1 Procs: 1 Jun19-2024 12:31:15 Nodes: 1 Procs: 1 0 Jun19-2024 12:31:18 Nodes: 1 Procs: 1 Jun19-2024 12:31:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 12:31:23 Nodes: 1 Procs: 1 Jun19-2024 12:31:26 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 12:31:30 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 1.47 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 12:31:13 Nodes: 1 Procs: 1 Jun19-2024 12:31:15 Nodes: 1 Procs: 1 0 Jun19-2024 12:31:18 Nodes: 1 Procs: 1 Jun19-2024 12:31:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 12:31:23 Nodes: 1 Procs: 1 Jun19-2024 12:31:26 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 12:31:30 Nodes: 1 Procs: 1 Jun19-2024 12:31:31 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 12:31:34 Hydrogen (TZP) c11-47 c11-47 c11-47 c11-47 c11-47 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.81 0.05 2.57 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 12:31:13 Nodes: 1 Procs: 1 Jun19-2024 12:31:15 Nodes: 1 Procs: 1 0 Jun19-2024 12:31:18 Nodes: 1 Procs: 1 Jun19-2024 12:31:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 12:31:23 Nodes: 1 Procs: 1 Jun19-2024 12:31:26 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 12:31:30 Nodes: 1 Procs: 1 Jun19-2024 12:31:31 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 12:31:34 Nodes: 1 Procs: 1 Jun19-2024 12:31:36 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 12:31:41 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2219.6787999999992 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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.W ADF 2019.304 Jun19-2024 12:31:36 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun19-2024 12:31:31 1 1 Oxygen TZP 1s t21.Ta ADF 2019.304 Jun19-2024 12:31:26 1 1 Tantalum TZP 4d t21.As ADF 2019.304 Jun19-2024 12:31:20 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun19-2024 12:31:15 1 1 Hydrogen TZP 1 1 -12.65056806 0.28107381 0.00100000 F 0.10972290 0.00066667 F 0.28107381 0.10972290 0.16901830 0.01000000 F 0.04987679 0.00666667 F Cartesian 2219.6787999999992 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219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -7.430 -7.401 -7.390 -7.335 -7.265 -7.241 -7.212 -6.941 -6.749 -6.732 -4.225 -4.039 -3.739 -3.411 -3.318 -3.236 -3.144 -3.125 -2.983 -2.854 A A A A A A A A A A A A A A A A A A A A 0.00000000050164 0.00038724876599 0.00029584608664 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 74 74 74 74 74 74 74 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 73 73 33 1 1 1 0.396025 -2.362347 2.803998 0.051230 2.371076 -2.538828 2.410287 -2.567364 0.087242 2.469133 2.766474 0.042389 -2.371166 2.727997 0.402849 -2.543389 0.065670 2.494956 2.778146 0.353834 -2.359096 3.594724 -3.768007 -0.257731 3.611285 4.043911 0.223757 -3.588459 3.848825 -0.093674 0.805450 -1.090486 0.914044 -1.199808 -1.104481 -1.188622 0.900521 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0.4361414E+07 3,-3 3 3 -3 2.410287 -2.567364 0.087242 Rho 0.4361414E+07 3,-3 4 3 -3 2.469133 2.766474 0.042389 Rho 0.4361415E+07 3,-3 5 3 -3 -2.371166 2.727997 0.402849 Rho 0.4361415E+07 3,-3 6 3 -3 -2.543389 0.065670 2.494956 Rho 0.4361414E+07 3,-3 7 3 -3 2.778146 0.353834 -2.359096 Rho 0.4361415E+07 3,-3 8 3 -3 3.594724 -3.768007 -0.257731 Rho 0.3194239E+03 3,-3 9 3 -3 3.611285 4.043911 0.223757 Rho 0.3194078E+03 3,-3 10 3 -3 -3.588459 3.848825 -0.093674 Rho 0.3193979E+03 3,-3 11 3 -3 0.805450 -1.090486 0.914044 Rho 0.3189723E+03 3,-3 12 3 -3 -1.199808 -1.104481 -1.188622 Rho 0.3193850E+03 3,-3 13 3 -3 0.900521 0.849738 -1.009723 Rho 0.3189926E+03 3,-3 14 3 -3 -1.063294 0.898006 0.890019 Rho 0.3189702E+03 3,-3 15 3 -3 -3.214507 -1.038061 1.056767 Rho 0.3187708E+03 3,-3 16 3 -3 2.717327 -1.218384 -1.321952 Rho 0.3187996E+03 3,-3 17 3 -3 4.151028 0.275334 3.622028 Rho 0.3192591E+03 3,-3 18 3 -3 3.137833 1.359119 1.115268 Rho 0.3188458E+03 3,-3 19 3 -3 0.231297 3.687838 4.122114 Rho 0.3192571E+03 3,-3 20 3 -3 1.362670 1.217845 3.172050 Rho 0.3188328E+03 3,-3 21 3 -3 -1.068232 1.017364 -3.304080 Rho 0.3187532E+03 3,-3 22 3 -3 -1.173554 -1.294726 2.816359 Rho 0.3187954E+03 3,-3 23 3 -3 -1.288167 2.694250 -1.176731 Rho 0.3187926E+03 3,-3 24 3 -3 -0.206315 3.637403 -3.671009 Rho 0.3194507E+03 3,-3 25 3 -3 1.180413 3.176191 1.282094 Rho 0.3188998E+03 3,-3 26 3 -3 0.952640 -3.238795 -0.996527 Rho 0.3187750E+03 3,-3 27 3 -3 3.347759 -1.501162 1.354650 Rho 0.3189484E+03 3,-3 28 3 -3 3.947684 -0.062151 -3.558243 Rho 0.3194033E+03 3,-3 29 3 -3 3.566962 1.673375 -1.417142 Rho 0.3190897E+03 3,-3 30 3 -3 -3.404160 1.587284 1.480620 Rho 0.3190000E+03 3,-3 31 3 -3 1.704146 -1.422841 3.612662 Rho 0.3190610E+03 3,-3 32 3 -3 1.570962 1.368155 -3.385966 Rho 0.3189963E+03 3,-3 33 3 -3 -1.519538 1.392613 3.418957 Rho 0.3189404E+03 3,-3 34 3 -3 -3.734693 -0.275590 3.688971 Rho 0.3194268E+03 3,-3 35 3 -3 -1.437282 3.601350 1.664341 Rho 0.3190876E+03 3,-3 36 3 -3 1.436375 -3.407824 1.631579 Rho 0.3189949E+03 3,-3 37 3 -3 1.425280 3.308901 -1.480936 Rho 0.3189639E+03 3,-3 38 3 -3 -0.041009 -3.571135 3.957279 Rho 0.3193985E+03 3,-3 39 3 -3 0.012603 2.519021 2.830505 Rho 0.3882646E+07 3,-3 40 3 -3 2.800358 0.040911 2.526110 Rho 0.3882646E+07 3,-3 41 3 -3 -0.242613 -0.223303 -0.197515 Rho 0.4276111E+05 3,-3 42 3 -3 -1.582185 1.288730 -4.092239 Rho 0.4568055E+00 3,-3 43 3 -3 -3.963615 -1.609505 1.323756 Rho 0.4599310E+00 3,-3 44 3 -3 1.213348 -3.996352 -1.559750 Rho 0.4605009E+00 3,-3 45 3 -1 -3.794385 -1.479146 1.267471 Rho 0.3338473E+00 |GRAD(Rho)| 0.7767278E-13 GRAD(Rho)x 0.6462075E-13 GRAD(Rho)y 0.1741425E-13 GRAD(Rho)z -0.3942034E-13 Laplacian -0.1740282E+01 (-1/4)Del**2(Rho)) 0.4350705E+00 Diamond 0.6284571E+01 Metallicity -0.6361701E+01 Ellipticity 0.2268346E-02 Gb(Abramov) 0.1712510E+00 Vb(Abramov) -0.7775726E+00 Hb(Abramov) -0.6063215E+00 Ex_ueg -0.1710470E+00 Ec_ueg -0.2116869E-01 Delta_ex 0.1765977E+00 Delta_ec 0.6001969E-01 Delta_et -0.1452323E+01 Pxc 0.8080189E+01 Qxc 0.2942329E+01 3,-1 46 3 +1 0.023067 0.041083 2.890441 Rho 0.3593988E-02 |GRAD(Rho)| 0.6124867E-17 GRAD(Rho)x 0.1989420E-17 GRAD(Rho)y 0.5792770E-17 GRAD(Rho)z 0.5054949E-20 Laplacian 0.1405802E-01 (-1/4)Del**2(Rho)) -0.3514506E-02 Diamond 0.1891315E-03 Metallicity 0.4133487E+00 Ellipticity -0.1732209E+01 Gb(Abramov) 0.2585124E-02 Vb(Abramov) -0.1655741E-02 Hb(Abramov) 0.9293826E-03 Ex_ueg -0.4065874E-03 Ec_ueg -0.8691740E-04 Delta_ex -0.6261694E-03 Delta_ec 0.3878628E-03 Delta_et -0.1929611E-02 Pxc 0.4677859E+01 Qxc -0.1614410E+01 3,+1 47 3 -1 -3.188938 -0.118190 3.141335 Rho 0.2545113E+00 |GRAD(Rho)| 0.7116167E-14 GRAD(Rho)x -0.5972219E-14 GRAD(Rho)y 0.3714233E-14 GRAD(Rho)z 0.1084853E-14 Laplacian 0.9532766E+00 (-1/4)Del**2(Rho)) -0.2383192E+00 Diamond 0.3594074E+01 Metallicity 0.7388778E+01 Ellipticity 0.4550624E-02 Gb(Abramov) 0.4523607E+00 Vb(Abramov) -0.6664022E+00 Hb(Abramov) -0.2140415E+00 Ex_ueg -0.1191227E+00 Ec_ueg -0.1544800E-01 Delta_ex -0.1168411E+00 Delta_ec 0.2047642E-01 Delta_et -0.2830504E+00 Pxc 0.7711204E+01 Qxc -0.5706131E+01 3,-1 48 3 -1 -0.547828 1.676404 1.840353 Rho 0.2202878E-01 |GRAD(Rho)| 0.2972698E-16 GRAD(Rho)x 0.2185197E-16 GRAD(Rho)y 0.1128039E-16 GRAD(Rho)z 0.1670143E-16 Laplacian 0.8053673E-01 (-1/4)Del**2(Rho)) -0.2013418E-01 Diamond 0.1268762E-01 Metallicity 0.1481164E+01 Ellipticity 0.2793068E+00 Gb(Abramov) 0.1839313E-01 Vb(Abramov) -0.1665207E-01 Hb(Abramov) 0.1741057E-02 Ex_ueg -0.4560777E-02 Ec_ueg -0.9403136E-03 Delta_ex -0.5336522E-02 Delta_ec 0.2247445E-02 Delta_et -0.1895057E-01 Pxc 0.4850273E+01 Qxc -0.2374484E+01 3,-1 49 3 -1 -1.771393 0.470656 1.650927 Rho 0.5587749E-01 |GRAD(Rho)| 0.1445172E-14 GRAD(Rho)x 0.8299246E-15 GRAD(Rho)y 0.5152946E-15 GRAD(Rho)z -0.1064997E-14 Laplacian 0.2166563E+00 (-1/4)Del**2(Rho)) -0.5416408E-01 Diamond 0.1261389E+00 Metallicity 0.2597586E+01 Ellipticity 0.2222699E-01 Gb(Abramov) 0.5955870E-01 Vb(Abramov) -0.6495332E-01 Hb(Abramov) -0.5394619E-02 Ex_ueg -0.1577736E-01 Ec_ueg -0.2742246E-02 Delta_ex -0.1828210E-01 Delta_ec 0.6343670E-02 Delta_et -0.6880322E-01 Pxc 0.5753443E+01 Qxc -0.2881944E+01 3,-1 50 3 +1 -0.612214 1.436116 -0.618610 Rho 0.1080569E-01 |GRAD(Rho)| 0.1677674E-12 GRAD(Rho)x 0.4599795E-13 GRAD(Rho)y -0.1262788E-12 GRAD(Rho)z 0.1004179E-12 Laplacian 0.4359756E-01 (-1/4)Del**2(Rho)) -0.1089939E-01 Diamond 0.1494212E-02 Metallicity 0.8347801E+00 Ellipticity -0.1421632E+01 Gb(Abramov) 0.8782693E-02 Vb(Abramov) -0.6665995E-02 Hb(Abramov) 0.2116698E-02 Ex_ueg -0.1764366E-02 Ec_ueg -0.4047202E-03 Delta_ex -0.2078494E-02 Delta_ec 0.5546318E-03 Delta_et -0.4062136E-02 Pxc 0.4359470E+01 Qxc -0.3747520E+01 3,+1 51 3 -1 -2.976981 0.871904 1.949027 Rho 0.1187003E+00 |GRAD(Rho)| 0.1942843E-15 GRAD(Rho)x -0.1776601E-15 GRAD(Rho)y 0.6970065E-16 GRAD(Rho)z -0.3640209E-16 Laplacian 0.4437240E+00 (-1/4)Del**2(Rho)) -0.1109310E+00 Diamond 0.6912584E+00 Metallicity 0.4452320E+01 Ellipticity 0.7490258E-02 Gb(Abramov) 0.1562707E+00 Vb(Abramov) -0.2016104E+00 Hb(Abramov) -0.4533972E-01 Ex_ueg -0.4308445E-01 Ec_ueg -0.6471156E-02 Delta_ex -0.4519817E-01 Delta_ec 0.1221337E-01 Delta_et -0.1571720E+00 Pxc 0.6657923E+01 Qxc -0.3700713E+01 3,-1 52 3 -1 -2.143092 -1.017751 0.048122 Rho 0.8534536E-02 |GRAD(Rho)| 0.8053096E-14 GRAD(Rho)x 0.6878484E-14 GRAD(Rho)y 0.4016640E-14 GRAD(Rho)z -0.1185505E-14 Laplacian 0.3362556E-01 (-1/4)Del**2(Rho)) -0.8406390E-02 Diamond 0.1988215E-02 Metallicity 0.7304270E+00 Ellipticity 0.5144992E+00 Gb(Abramov) 0.6627636E-02 Vb(Abramov) -0.4848881E-02 Hb(Abramov) 0.1778754E-02 Ex_ueg -0.1288126E-02 Ec_ueg -0.3020520E-03 Delta_ex -0.2032835E-02 Delta_ec 0.1365259E-02 Delta_et -0.8586701E-02 Pxc 0.4264582E+01 Qxc -0.1488975E+01 3,-1 53 3 -1 -3.031028 3.333257 0.133207 Rho 0.2500693E+00 |GRAD(Rho)| 0.4647091E-15 GRAD(Rho)x 0.4273925E-15 GRAD(Rho)y -0.1762913E-15 GRAD(Rho)z 0.4702727E-16 Laplacian 0.9335953E+00 (-1/4)Del**2(Rho)) -0.2333988E+00 Diamond 0.3429675E+01 Metallicity 0.7326364E+01 Ellipticity 0.2801571E-02 Gb(Abramov) 0.4405933E+00 Vb(Abramov) -0.6477878E+00 Hb(Abramov) -0.2071945E+00 Ex_ueg -0.1163587E+00 Ec_ueg -0.1513795E-01 Delta_ex -0.1138176E+00 Delta_ec 0.2001478E-01 Delta_et -0.2759036E+00 Pxc 0.7686556E+01 Qxc -0.5686678E+01 3,-1 54 3 +1 0.501740 0.501834 1.755071 Rho 0.4840851E-02 |GRAD(Rho)| 0.3309446E-17 GRAD(Rho)x -0.1406368E-17 GRAD(Rho)y -0.2957484E-17 GRAD(Rho)z 0.4773373E-18 Laplacian 0.1730384E-01 (-1/4)Del**2(Rho)) -0.4325960E-02 Diamond 0.2200047E-03 Metallicity 0.5516627E+00 Ellipticity -0.1359380E+01 Gb(Abramov) 0.3281718E-02 Vb(Abramov) -0.2237477E-02 Hb(Abramov) 0.1044241E-02 Ex_ueg -0.6048032E-03 Ec_ueg -0.1400704E-03 Delta_ex -0.6937132E-03 Delta_ec 0.2569385E-03 Delta_et -0.1498714E-02 Pxc 0.4317851E+01 Qxc -0.2699920E+01 3,+1 55 3 +1 -1.908811 -0.668394 0.380430 Rho 0.7738168E-02 |GRAD(Rho)| 0.1440240E-16 GRAD(Rho)x -0.1313792E-16 GRAD(Rho)y -0.5788034E-17 GRAD(Rho)z 0.1150231E-17 Laplacian 0.3083955E-01 (-1/4)Del**2(Rho)) -0.7709887E-02 Diamond 0.9779232E-03 Metallicity 0.6764496E+00 Ellipticity -0.1943702E+01 Gb(Abramov) 0.6009149E-02 Vb(Abramov) -0.4308412E-02 Hb(Abramov) 0.1700737E-02 Ex_ueg -0.1130410E-02 Ec_ueg -0.2665859E-03 Delta_ex -0.1508390E-02 Delta_ec 0.6776791E-03 Delta_et -0.4303415E-02 Pxc 0.4240321E+01 Qxc -0.2225818E+01 3,+1 56 3 +1 -0.658503 -0.583609 1.528000 Rho 0.9910818E-02 |GRAD(Rho)| 0.7375340E-17 GRAD(Rho)x 0.3793689E-17 GRAD(Rho)y -0.6272400E-17 GRAD(Rho)z 0.8127546E-18 Laplacian 0.4050709E-01 (-1/4)Del**2(Rho)) -0.1012677E-01 Diamond 0.1244699E-02 Metallicity 0.7779134E+00 Ellipticity -0.1388797E+01 Gb(Abramov) 0.8064141E-02 Vb(Abramov) -0.6001509E-02 Hb(Abramov) 0.2062632E-02 Ex_ueg -0.1572284E-02 Ec_ueg -0.3640050E-03 Delta_ex -0.1892223E-02 Delta_ec 0.5228573E-03 Delta_et -0.3742283E-02 Pxc 0.4319404E+01 Qxc -0.3619005E+01 3,+1 57 3 +1 -2.215657 1.091935 1.324244 Rho 0.3223791E-01 |GRAD(Rho)| 0.1863836E-13 GRAD(Rho)x -0.7610274E-14 GRAD(Rho)y -0.8593421E-14 GRAD(Rho)z 0.1468419E-13 Laplacian 0.1280855E+00 (-1/4)Del**2(Rho)) -0.3202138E-01 Diamond 0.2177822E-01 Metallicity 0.1756809E+01 Ellipticity -0.3335706E+01 Gb(Abramov) 0.3072349E-01 Vb(Abramov) -0.2942561E-01 Hb(Abramov) 0.1297885E-02 Ex_ueg -0.7577760E-02 Ec_ueg -0.1459608E-02 Delta_ex -0.8375694E-02 Delta_ec 0.1896829E-02 Delta_et -0.1780009E-01 Pxc 0.5191639E+01 Qxc -0.4415628E+01 3,+1 58 3 -1 -2.913860 -0.526587 1.744534 Rho 0.1491790E+00 |GRAD(Rho)| 0.4301178E-15 GRAD(Rho)x -0.9391224E-16 GRAD(Rho)y -0.2794125E-15 GRAD(Rho)z -0.3132260E-15 Laplacian 0.5783124E+00 (-1/4)Del**2(Rho)) -0.1445781E+00 Diamond 0.1189490E+01 Metallicity 0.4999923E+01 Ellipticity 0.1344183E+00 Gb(Abramov) 0.2168653E+00 Vb(Abramov) -0.2891525E+00 Hb(Abramov) -0.7228718E-01 Ex_ueg -0.5843349E-01 Ec_ueg -0.8390976E-02 Delta_ex -0.6227487E-01 Delta_ec 0.1514532E-01 Delta_et -0.2024944E+00 Pxc 0.6963849E+01 Qxc -0.4111823E+01 3,-1 59 3 +3 0.049672 0.087277 2.402333 Rho 0.3352902E-02 |GRAD(Rho)| 0.1236106E-12 GRAD(Rho)x -0.4899425E-13 GRAD(Rho)y 0.7162407E-13 GRAD(Rho)z 0.8802924E-13 Laplacian 0.1298245E-01 (-1/4)Del**2(Rho)) -0.3245612E-02 Diamond 0.8208465E-04 Metallicity 0.3986802E+00 Ellipticity -0.3003169E+00 Gb(Abramov) 0.2379402E-02 Vb(Abramov) -0.1513191E-02 Hb(Abramov) 0.8662105E-03 Ex_ueg -0.3706348E-03 Ec_ueg -0.7673500E-04 Delta_ex -0.4487700E-03 Delta_ec 0.1406058E-03 Delta_et -0.7881150E-03 Pxc 0.4830062E+01 Qxc -0.3191690E+01 3,+3 60 3 +1 0.018466 2.825231 0.009093 Rho 0.3835858E-02 |GRAD(Rho)| 0.3290962E-17 GRAD(Rho)x -0.1505008E-17 GRAD(Rho)y -0.1249651E-17 GRAD(Rho)z -0.2646461E-17 Laplacian 0.1552327E-01 (-1/4)Del**2(Rho)) -0.3880818E-02 Diamond 0.2393989E-03 Metallicity 0.4172542E+00 Ellipticity -0.1871410E+01 Gb(Abramov) 0.2857093E-02 Vb(Abramov) -0.1833368E-02 Hb(Abramov) 0.1023725E-02 Ex_ueg -0.4434742E-03 Ec_ueg -0.9716423E-04 Delta_ex -0.7153463E-03 Delta_ec 0.4553560E-03 Delta_et -0.2297066E-02 Pxc 0.4564172E+01 Qxc -0.1570960E+01 3,+1 61 3 -1 -1.985620 0.776319 2.969705 Rho 0.1530755E+00 |GRAD(Rho)| 0.1147119E-15 GRAD(Rho)x -0.2238877E-16 GRAD(Rho)y 0.4445229E-16 GRAD(Rho)z -0.1033516E-15 Laplacian 0.6249987E+00 (-1/4)Del**2(Rho)) -0.1562497E+00 Diamond 0.1294380E+01 Metallicity 0.4829591E+01 Ellipticity 0.3400092E-01 Gb(Abramov) 0.2299368E+00 Vb(Abramov) -0.3036239E+00 Hb(Abramov) -0.7368712E-01 Ex_ueg -0.6047735E-01 Ec_ueg -0.8640682E-02 Delta_ex -0.6742183E-01 Delta_ec 0.1571823E-01 Delta_et -0.2096836E+00 Pxc 0.6999141E+01 Qxc -0.4289404E+01 3,-1 62 3 -1 -1.789835 2.700076 -0.435576 Rho 0.1466522E+00 |GRAD(Rho)| 0.1999844E-15 GRAD(Rho)x -0.1867674E-15 GRAD(Rho)y 0.7800326E-17 GRAD(Rho)z 0.7106945E-16 Laplacian 0.6304441E+00 (-1/4)Del**2(Rho)) -0.1576110E+00 Diamond 0.1241941E+01 Metallicity 0.4457736E+01 Ellipticity 0.2475305E-01 Gb(Abramov) 0.2221721E+00 Vb(Abramov) -0.2867331E+00 Hb(Abramov) -0.6456105E-01 Ex_ueg -0.5711760E-01 Ec_ueg -0.8229554E-02 Delta_ex -0.6731449E-01 Delta_ec 0.1605828E-01 Delta_et -0.2130273E+00 Pxc 0.6940546E+01 Qxc -0.4191886E+01 3,-1 63 3 +3 0.059617 2.356196 0.064399 Rho 0.3593086E-02 |GRAD(Rho)| 0.7688613E-17 GRAD(Rho)x -0.4454335E-17 GRAD(Rho)y -0.4559580E-17 GRAD(Rho)z -0.4299290E-17 Laplacian 0.1434072E-01 (-1/4)Del**2(Rho)) -0.3585181E-02 Diamond 0.1036097E-03 Metallicity 0.4050309E+00 Ellipticity -0.2728320E+00 Gb(Abramov) 0.2632139E-02 Vb(Abramov) -0.1679097E-02 Hb(Abramov) 0.9530422E-03 Ex_ueg -0.4064514E-03 Ec_ueg -0.8687925E-04 Delta_ex -0.5099632E-03 Delta_ec 0.1657599E-03 Delta_et -0.9331758E-03 Pxc 0.4678348E+01 Qxc -0.3076518E+01 3,+3 64 3 -1 -1.864233 3.191717 1.083515 Rho 0.2082759E+00 |GRAD(Rho)| 0.7666843E-14 GRAD(Rho)x 0.5295027E-14 GRAD(Rho)y 0.5241982E-14 GRAD(Rho)z -0.1806877E-14 Laplacian 0.7648124E+00 (-1/4)Del**2(Rho)) -0.1912031E+00 Diamond 0.2322192E+01 Metallicity 0.6593608E+01 Ellipticity 0.3857865E-01 Gb(Abramov) 0.3375885E+00 Vb(Abramov) -0.4839738E+00 Hb(Abramov) -0.1463854E+00 Ex_ueg -0.9118085E-01 Ec_ueg -0.1227375E-01 Delta_ex -0.8933899E-01 Delta_ec 0.1807280E-01 Delta_et -0.2502378E+00 Pxc 0.7428933E+01 Qxc -0.4943285E+01 3,-1 65 3 -1 -1.810064 -0.652238 2.654775 Rho 0.1326489E+00 |GRAD(Rho)| 0.2471335E-15 GRAD(Rho)x -0.1927847E-15 GRAD(Rho)y 0.1538889E-15 GRAD(Rho)z -0.1507380E-16 Laplacian 0.5559541E+00 (-1/4)Del**2(Rho)) -0.1389885E+00 Diamond 0.9860734E+00 Metallicity 0.4276420E+01 Ellipticity 0.3599331E-01 Gb(Abramov) 0.1917212E+00 Vb(Abramov) -0.2444539E+00 Hb(Abramov) -0.5273270E-01 Ex_ueg -0.4996393E-01 Ec_ueg -0.7342227E-02 Delta_ex -0.5810698E-01 Delta_ec 0.1483114E-01 Delta_et -0.1944083E+00 Pxc 0.6805011E+01 Qxc -0.3917903E+01 3,-1 66 3 -1 1.796961 -0.565808 1.683490 Rho 0.1985843E-01 |GRAD(Rho)| 0.3052091E-15 GRAD(Rho)x 0.2883155E-15 GRAD(Rho)y -0.1001293E-15 GRAD(Rho)z -0.9385125E-18 Laplacian 0.7108748E-01 (-1/4)Del**2(Rho)) -0.1777187E-01 Diamond 0.9222706E-02 Metallicity 0.1411654E+01 Ellipticity 0.5343014E+00 Gb(Abramov) 0.1602920E-01 Vb(Abramov) -0.1428653E-01 Hb(Abramov) 0.1742669E-02 Ex_ueg -0.3971716E-02 Ec_ueg -0.8335022E-03 Delta_ex -0.4521028E-02 Delta_ec 0.1851709E-02 Delta_et -0.1519322E-01 Pxc 0.4765094E+01 Qxc -0.2441544E+01 3,-1 67 3 -1 -1.091263 0.042988 -2.207142 Rho 0.8412666E-02 |GRAD(Rho)| 0.1269047E-16 GRAD(Rho)x -0.7849584E-18 GRAD(Rho)y 0.8002996E-17 GRAD(Rho)z -0.9817536E-17 Laplacian 0.3382912E-01 (-1/4)Del**2(Rho)) -0.8457279E-02 Diamond 0.2082688E-02 Metallicity 0.7088352E+00 Ellipticity 0.2785708E+00 Gb(Abramov) 0.6637322E-02 Vb(Abramov) -0.4817365E-02 Hb(Abramov) 0.1819957E-02 Ex_ueg -0.1263659E-02 Ec_ueg -0.2966061E-03 Delta_ex -0.2095596E-02 Delta_ec 0.1473600E-02 Delta_et -0.9199203E-02 Pxc 0.4260395E+01 Qxc -0.1422093E+01 3,-1 68 3 -1 0.783529 2.849675 -1.965002 Rho 0.1324275E+00 |GRAD(Rho)| 0.3215108E-15 GRAD(Rho)x 0.3139443E-15 GRAD(Rho)y -0.3304784E-16 GRAD(Rho)z 0.6095927E-16 Laplacian 0.5390476E+00 (-1/4)Del**2(Rho)) -0.1347619E+00 Diamond 0.9455240E+00 Metallicity 0.4398282E+01 Ellipticity 0.4120621E-01 Gb(Abramov) 0.1886281E+00 Vb(Abramov) -0.2424942E+00 Hb(Abramov) -0.5386617E-01 Ex_ueg -0.4985277E-01 Ec_ueg -0.7328299E-02 Delta_ex -0.5621562E-01 Delta_ec 0.1420428E-01 Delta_et -0.1857994E+00 Pxc 0.6802775E+01 Qxc -0.3957653E+01 3,-1 69 3 +1 0.474578 1.740518 0.523435 Rho 0.5160479E-02 |GRAD(Rho)| 0.1695067E-14 GRAD(Rho)x 0.1649428E-14 GRAD(Rho)y -0.3903891E-15 GRAD(Rho)z 0.1541794E-16 Laplacian 0.1902270E-01 (-1/4)Del**2(Rho)) -0.4755674E-02 Diamond 0.2644427E-03 Metallicity 0.5582444E+00 Ellipticity -0.1354672E+01 Gb(Abramov) 0.3612921E-02 Vb(Abramov) -0.2470168E-02 Hb(Abramov) 0.1142753E-02 Ex_ueg -0.6586252E-03 Ec_ueg -0.1538254E-03 Delta_ex -0.7749440E-03 Delta_ec 0.2836329E-03 Delta_et -0.1682090E-02 Pxc 0.4281642E+01 Qxc -0.2732208E+01 3,+1 70 3 +1 1.713834 0.435176 0.569646 Rho 0.5027348E-02 |GRAD(Rho)| 0.1424690E-15 GRAD(Rho)x -0.4358385E-16 GRAD(Rho)y 0.6145261E-16 GRAD(Rho)z -0.1209192E-15 Laplacian 0.1830503E-01 (-1/4)Del**2(Rho)) -0.4576256E-02 Diamond 0.2459690E-03 Metallicity 0.5554023E+00 Ellipticity -0.1358552E+01 Gb(Abramov) 0.3474448E-02 Vb(Abramov) -0.2372640E-02 Hb(Abramov) 0.1101808E-02 Ex_ueg -0.6360681E-03 Ec_ueg -0.1480899E-03 Delta_ex -0.7414052E-03 Delta_ec 0.2734966E-03 Delta_et -0.1610146E-02 Pxc 0.4295149E+01 Qxc -0.2710838E+01 3,+1 71 3 +1 -0.666829 0.420590 -1.928909 Rho 0.7050987E-02 |GRAD(Rho)| 0.1954646E-14 GRAD(Rho)x 0.1602863E-14 GRAD(Rho)y 0.4107646E-15 GRAD(Rho)z 0.1040549E-14 Laplacian 0.2809732E-01 (-1/4)Del**2(Rho)) -0.7024330E-02 Diamond 0.7246967E-03 Metallicity 0.6358649E+00 Ellipticity -0.1643223E+01 Gb(Abramov) 0.5427307E-02 Vb(Abramov) -0.3830285E-02 Hb(Abramov) 0.1597022E-02 Ex_ueg -0.9985849E-03 Ec_ueg -0.2362155E-03 Delta_ex -0.1309803E-02 Delta_ec 0.5535283E-03 Delta_et -0.3458471E-02 Pxc 0.4227431E+01 Qxc -0.2366280E+01 3,+1 72 3 -1 -0.710507 -0.654280 -0.681631 Rho 0.2125063E+00 |GRAD(Rho)| 0.6701783E-15 GRAD(Rho)x -0.4579670E-15 GRAD(Rho)y -0.5898060E-16 GRAD(Rho)z -0.4857226E-15 Laplacian 0.6218330E+00 (-1/4)Del**2(Rho)) -0.1554582E+00 Diamond 0.1818047E+01 Metallicity 0.8386085E+01 Ellipticity 0.8148421E-03 Gb(Abramov) 0.3209198E+00 Vb(Abramov) -0.4863814E+00 Hb(Abramov) -0.1654616E+00 Ex_ueg -0.9365859E-01 Ec_ueg -0.1255930E-01 Delta_ex -0.7228463E-01 Delta_ec 0.1331374E-01 Delta_et -0.1798568E+00 Pxc 0.7457310E+01 Qxc -0.5429327E+01 3,-1 73 3 +1 1.455762 -0.679610 -0.577050 Rho 0.9768833E-02 |GRAD(Rho)| 0.1235257E-16 GRAD(Rho)x -0.7087654E-17 GRAD(Rho)y 0.9986042E-17 GRAD(Rho)z 0.1621777E-17 Laplacian 0.3933330E-01 (-1/4)Del**2(Rho)) -0.9833325E-02 Diamond 0.1202266E-02 Metallicity 0.7820909E+00 Ellipticity -0.1412505E+01 Gb(Abramov) 0.7837309E-02 Vb(Abramov) -0.5841293E-02 Hb(Abramov) 0.1996016E-02 Ex_ueg -0.1542323E-02 Ec_ueg -0.3575758E-03 Delta_ex -0.1837074E-02 Delta_ec 0.5194141E-03 Delta_et -0.3694406E-02 Pxc 0.4313276E+01 Qxc -0.3536819E+01 3,+1 74 3 -1 -0.639211 0.316659 0.321252 Rho 0.1595333E+00 |GRAD(Rho)| 0.2469373E-12 GRAD(Rho)x 0.1149827E-12 GRAD(Rho)y -0.1742252E-12 GRAD(Rho)z -0.1319188E-12 Laplacian 0.3893652E+00 (-1/4)Del**2(Rho)) -0.9734129E-01 Diamond 0.8680562E+00 Metallicity 0.8305035E+01 Ellipticity 0.5514313E-02 Gb(Abramov) 0.1996313E+00 Vb(Abramov) -0.3019214E+00 Hb(Abramov) -0.1022900E+00 Ex_ueg -0.6390282E-01 Ec_ueg -0.9056546E-02 Delta_ex -0.4262376E-01 Delta_ec 0.1002910E-01 Delta_et -0.1353715E+00 Pxc 0.7055981E+01 Qxc -0.4250009E+01 3,-1 75 3 +1 -0.826114 1.516000 2.077589 Rho 0.2059310E-01 |GRAD(Rho)| 0.2791093E-16 GRAD(Rho)x -0.3609313E-17 GRAD(Rho)y 0.1480695E-16 GRAD(Rho)z -0.2338262E-16 Laplacian 0.7468172E-01 (-1/4)Del**2(Rho)) -0.1867043E-01 Diamond 0.6159512E-02 Metallicity 0.1427585E+01 Ellipticity -0.2072707E+01 Gb(Abramov) 0.1688922E-01 Vb(Abramov) -0.1510801E-01 Hb(Abramov) 0.1781207E-02 Ex_ueg -0.4168829E-02 Ec_ueg -0.8695018E-03 Delta_ex -0.4225991E-02 Delta_ec 0.9354872E-03 Delta_et -0.7987713E-02 Pxc 0.4794503E+01 Qxc -0.4517423E+01 3,+1 76 3 -1 -0.548380 1.666872 -2.962990 Rho 0.1548509E+00 |GRAD(Rho)| 0.3250798E-15 GRAD(Rho)x -0.9427138E-16 GRAD(Rho)y -0.2162712E-15 GRAD(Rho)z -0.2236438E-15 Laplacian 0.6040707E+00 (-1/4)Del**2(Rho)) -0.1510177E+00 Diamond 0.1300521E+01 Metallicity 0.5093872E+01 Ellipticity 0.1314406E+00 Gb(Abramov) 0.2288892E+00 Vb(Abramov) -0.3067608E+00 Hb(Abramov) -0.7787156E-01 Ex_ueg -0.6141435E-01 Ec_ueg -0.8754758E-02 Delta_ex -0.6565584E-01 Delta_ec 0.1569414E-01 Delta_et -0.2110091E+00 Pxc 0.7014968E+01 Qxc -0.4183462E+01 3,-1 77 3 +1 1.996564 -1.858390 2.033567 Rho 0.1227281E-01 |GRAD(Rho)| 0.6331366E-17 GRAD(Rho)x -0.4923304E-17 GRAD(Rho)y 0.2307618E-17 GRAD(Rho)z -0.3243790E-17 Laplacian 0.4994093E-01 (-1/4)Del**2(Rho)) -0.1248523E-01 Diamond 0.1499796E-02 Metallicity 0.9010109E+00 Ellipticity -0.1102946E+01 Gb(Abramov) 0.1019838E-01 Vb(Abramov) -0.7911521E-02 Hb(Abramov) 0.2286856E-02 Ex_ueg -0.2090791E-02 Ec_ueg -0.4721776E-03 Delta_ex -0.2311256E-02 Delta_ec 0.3658282E-03 Delta_et -0.2972597E-02 Pxc 0.4427975E+01 Qxc -0.6317872E+01 3,+1 78 3 -1 -0.009732 -2.113168 -1.028056 Rho 0.8219700E-02 |GRAD(Rho)| 0.7147551E-16 GRAD(Rho)x -0.4900156E-16 GRAD(Rho)y -0.3995938E-16 GRAD(Rho)z 0.3332932E-16 Laplacian 0.3227795E-01 (-1/4)Del**2(Rho)) -0.8069488E-02 Diamond 0.1817283E-02 Metallicity 0.7147164E+00 Ellipticity 0.5428861E+00 Gb(Abramov) 0.6340891E-02 Vb(Abramov) -0.4612295E-02 Hb(Abramov) 0.1728597E-02 Ex_ueg -0.1225160E-02 Ec_ueg -0.2879967E-03 Delta_ex -0.1938863E-02 Delta_ec 0.1313046E-02 Delta_et -0.8163515E-02 Pxc 0.4254079E+01 Qxc -0.1476616E+01 3,-1 79 3 -1 -0.438687 -1.788226 2.800109 Rho 0.1532180E+00 |GRAD(Rho)| 0.2415381E-15 GRAD(Rho)x -0.1156844E-15 GRAD(Rho)y 0.1875805E-15 GRAD(Rho)z 0.9884991E-16 Laplacian 0.6592088E+00 (-1/4)Del**2(Rho)) -0.1648022E+00 Diamond 0.1362211E+01 Metallicity 0.4586058E+01 Ellipticity 0.3272098E-01 Gb(Abramov) 0.2358336E+00 Vb(Abramov) -0.3068649E+00 Hb(Abramov) -0.7103135E-01 Ex_ueg -0.6055239E-01 Ec_ueg -0.8649827E-02 Delta_ex -0.7108456E-01 Delta_ec 0.1649616E-01 Delta_et -0.2199012E+00 Pxc 0.7000416E+01 Qxc -0.4309159E+01 3,-1 80 3 -1 -0.656548 2.532591 -1.808086 Rho 0.1393555E+00 |GRAD(Rho)| 0.6583472E-15 GRAD(Rho)x 0.5373577E-15 GRAD(Rho)y -0.6197232E-16 GRAD(Rho)z -0.3752695E-15 Laplacian 0.5882603E+00 (-1/4)Del**2(Rho)) -0.1470651E+00 Diamond 0.1102403E+01 Metallicity 0.4387834E+01 Ellipticity 0.2842943E-01 Gb(Abramov) 0.2055929E+00 Vb(Abramov) -0.2641208E+00 Hb(Abramov) -0.5852784E-01 Ex_ueg -0.5336015E-01 Ec_ueg -0.7765632E-02 Delta_ex -0.6216909E-01 Delta_ec 0.1541717E-01 Delta_et -0.2035029E+00 Pxc 0.6871321E+01 Qxc -0.4032458E+01 3,-1 81 3 +1 -0.914357 2.125093 1.611990 Rho 0.1737014E-01 |GRAD(Rho)| 0.8503331E-16 GRAD(Rho)x -0.7850962E-16 GRAD(Rho)y -0.6453791E-17 GRAD(Rho)z -0.3201955E-16 Laplacian 0.5793761E-01 (-1/4)Del**2(Rho)) -0.1448440E-01 Diamond 0.3065324E-02 Metallicity 0.1385664E+01 Ellipticity -0.1626827E+01 Gb(Abramov) 0.1300135E-01 Vb(Abramov) -0.1151831E-01 Hb(Abramov) 0.1483048E-02 Ex_ueg -0.3322431E-02 Ec_ueg -0.7128223E-03 Delta_ex -0.3003614E-02 Delta_ec 0.5014069E-03 Delta_et -0.4253666E-02 Pxc 0.4660953E+01 Qxc -0.5990373E+01 3,+1 82 3 -1 -0.799736 1.917173 3.126979 Rho 0.1244178E+00 |GRAD(Rho)| 0.3081533E-15 GRAD(Rho)x 0.2727311E-15 GRAD(Rho)y 0.1360403E-15 GRAD(Rho)z -0.4548906E-16 Laplacian 0.5096730E+00 (-1/4)Del**2(Rho)) -0.1274183E+00 Diamond 0.8536901E+00 Metallicity 0.4192366E+01 Ellipticity 0.1566763E-01 Gb(Abramov) 0.1739762E+00 Vb(Abramov) -0.2205341E+00 Hb(Abramov) -0.4655792E-01 Ex_ueg -0.4587350E-01 Ec_ueg -0.6826613E-02 Delta_ex -0.5267156E-01 Delta_ec 0.1418429E-01 Delta_et -0.1845863E+00 Pxc 0.6719804E+01 Qxc -0.3713374E+01 3,-1 83 3 -1 -0.754349 3.064840 2.206193 Rho 0.8069439E-01 |GRAD(Rho)| 0.1840355E-15 GRAD(Rho)x 0.1557897E-15 GRAD(Rho)y -0.3309188E-16 GRAD(Rho)z 0.9221478E-16 Laplacian 0.3501764E+00 (-1/4)Del**2(Rho)) -0.8754409E-01 Diamond 0.3503253E+00 Metallicity 0.2965277E+01 Ellipticity 0.4960312E-01 Gb(Abramov) 0.1016281E+00 Vb(Abramov) -0.1157122E+00 Hb(Abramov) -0.1408405E-01 Ex_ueg -0.2575389E-01 Ec_ueg -0.4171283E-02 Delta_ex -0.3281155E-01 Delta_ec 0.1080290E-01 Delta_et -0.1287377E+00 Pxc 0.6174094E+01 Qxc -0.3037290E+01 3,-1 84 3 +1 0.290292 -1.907333 -0.680030 Rho 0.7560519E-02 |GRAD(Rho)| 0.1761433E-15 GRAD(Rho)x 0.1553717E-15 GRAD(Rho)y -0.5664115E-16 GRAD(Rho)z 0.6064569E-16 Laplacian 0.3022063E-01 (-1/4)Del**2(Rho)) -0.7555156E-02 Diamond 0.9476619E-03 Metallicity 0.6640933E+00 Ellipticity -0.1976988E+01 Gb(Abramov) 0.5872992E-02 Vb(Abramov) -0.4190828E-02 Hb(Abramov) 0.1682164E-02 Ex_ueg -0.1095941E-02 Ec_ueg -0.2587137E-03 Delta_ex -0.1480496E-02 Delta_ec 0.6822431E-03 Delta_et -0.4294170E-02 Pxc 0.4236116E+01 Qxc -0.2170042E+01 3,+1 85 3 +3 2.357214 -0.022190 0.103603 Rho 0.3367847E-02 |GRAD(Rho)| 0.1788602E-11 GRAD(Rho)x 0.7540817E-12 GRAD(Rho)y 0.1300805E-11 GRAD(Rho)z 0.9686927E-12 Laplacian 0.1336658E-01 (-1/4)Del**2(Rho)) -0.3341644E-02 Diamond 0.8264383E-04 Metallicity 0.3901038E+00 Ellipticity -0.3830561E+00 Gb(Abramov) 0.2445028E-02 Vb(Abramov) -0.1548411E-02 Hb(Abramov) 0.8966168E-03 Ex_ueg -0.3728391E-03 Ec_ueg -0.7736528E-04 Delta_ex -0.4588048E-03 Delta_ec 0.1380873E-03 Delta_et -0.7829343E-03 Pxc 0.4819205E+01 Qxc -0.3322572E+01 3,+3 86 3 -1 -0.086521 3.057599 -3.151945 Rho 0.2563659E+00 |GRAD(Rho)| 0.2472717E-14 GRAD(Rho)x 0.1258705E-14 GRAD(Rho)y 0.5791808E-15 GRAD(Rho)z -0.2048058E-14 Laplacian 0.9648577E+00 (-1/4)Del**2(Rho)) -0.2412144E+00 Diamond 0.3670031E+01 Metallicity 0.7388965E+01 Ellipticity 0.9022704E-03 Gb(Abramov) 0.4578638E+00 Vb(Abramov) -0.6745131E+00 Hb(Abramov) -0.2166494E+00 Ex_ueg -0.1202815E+00 Ec_ueg -0.1557777E-01 Delta_ex -0.1184887E+00 Delta_ec 0.2068194E-01 Delta_et -0.2859299E+00 Pxc 0.7721353E+01 Qxc -0.5729090E+01 3,-1 87 3 -1 0.130912 3.149832 3.528259 Rho 0.2338660E+00 |GRAD(Rho)| 0.1273438E-14 GRAD(Rho)x 0.1523169E-15 GRAD(Rho)y 0.8635670E-15 GRAD(Rho)z 0.9234150E-15 Laplacian 0.8359659E+00 (-1/4)Del**2(Rho)) -0.2089915E+00 Diamond 0.2869813E+01 Metallicity 0.7317617E+01 Ellipticity 0.2534477E-02 Gb(Abramov) 0.3942143E+00 Vb(Abramov) -0.5794370E+00 Hb(Abramov) -0.1852228E+00 Ex_ueg -0.1064162E+00 Ec_ueg -0.1401612E-01 Delta_ex -0.1003437E+00 Delta_ec 0.1864744E-01 Delta_et -0.2582147E+00 Pxc 0.7592418E+01 Qxc -0.5381100E+01 3,-1 88 3 -1 0.464021 1.568464 -1.741854 Rho 0.5890062E-01 |GRAD(Rho)| 0.8856039E-16 GRAD(Rho)x 0.1390786E-16 GRAD(Rho)y 0.3919730E-16 GRAD(Rho)z -0.7818622E-16 Laplacian 0.2249738E+00 (-1/4)Del**2(Rho)) -0.5624344E-01 Diamond 0.1397114E+00 Metallicity 0.2731164E+01 Ellipticity 0.2577206E-01 Gb(Abramov) 0.6309730E-01 Vb(Abramov) -0.6995116E-01 Hb(Abramov) -0.6853863E-02 Ex_ueg -0.1692563E-01 Ec_ueg -0.2912471E-02 Delta_ex -0.1920626E-01 Delta_ec 0.6522694E-02 Delta_et -0.7166968E-01 Pxc 0.5811433E+01 Qxc -0.2944529E+01 3,-1 89 3 -1 0.257010 -0.642767 0.338237 Rho 0.1622190E+00 |GRAD(Rho)| 0.9015301E-13 GRAD(Rho)x 0.6116808E-13 GRAD(Rho)y 0.1549282E-13 GRAD(Rho)z 0.6438947E-13 Laplacian 0.4007370E+00 (-1/4)Del**2(Rho)) -0.1001843E+00 Diamond 0.9109843E+00 Metallicity 0.8297037E+01 Ellipticity 0.8492423E-02 Gb(Abramov) 0.2053282E+00 Vb(Abramov) -0.3104722E+00 Hb(Abramov) -0.1051440E+00 Ex_ueg -0.6534121E-01 Ec_ueg -0.9230236E-02 Delta_ex -0.4404495E-01 Delta_ec 0.1027071E-01 Delta_et -0.1389241E+00 Pxc 0.7079040E+01 Qxc -0.4288404E+01 3,-1 90 3 -1 0.307779 0.289036 -0.589396 Rho 0.1592724E+00 |GRAD(Rho)| 0.2235035E-16 GRAD(Rho)x -0.5204170E-17 GRAD(Rho)y 0.1040834E-16 GRAD(Rho)z -0.1908196E-16 Laplacian 0.3863806E+00 (-1/4)Del**2(Rho)) -0.9659514E-01 Diamond 0.8590089E+00 Metallicity 0.8346389E+01 Ellipticity 0.4887893E-02 Gb(Abramov) 0.1987669E+00 Vb(Abramov) -0.3009386E+00 Hb(Abramov) -0.1021717E+00 Ex_ueg -0.6376353E-01 Ec_ueg -0.9039697E-02 Delta_ex -0.4227354E-01 Delta_ec 0.9944759E-02 Delta_et -0.1341750E+00 Pxc 0.7053724E+01 Qxc -0.4250836E+01 3,-1 91 3 +1 1.182010 1.161802 -2.177781 Rho 0.3193158E-01 |GRAD(Rho)| 0.8916144E-13 GRAD(Rho)x 0.7902659E-13 GRAD(Rho)y -0.3979479E-13 GRAD(Rho)z -0.1099712E-13 Laplacian 0.1301552E+00 (-1/4)Del**2(Rho)) -0.3253880E-01 Diamond 0.2410248E-01 Metallicity 0.1701580E+01 Ellipticity -0.5785366E+01 Gb(Abramov) 0.3092043E-01 Vb(Abramov) -0.2930205E-01 Hb(Abramov) 0.1618374E-02 Ex_ueg -0.7481906E-02 Ec_ueg -0.1443664E-02 Delta_ex -0.8665940E-02 Delta_ec 0.2244077E-02 Delta_et -0.2100250E-01 Pxc 0.5182581E+01 Qxc -0.3861695E+01 3,+1 92 3 +3 1.039838 1.044524 1.099788 Rho 0.3013249E-02 |GRAD(Rho)| 0.2778060E-17 GRAD(Rho)x -0.3658024E-18 GRAD(Rho)y -0.8485761E-18 GRAD(Rho)z 0.2619871E-17 Laplacian 0.1085019E-01 (-1/4)Del**2(Rho)) -0.2712548E-02 Diamond 0.4395752E-04 Metallicity 0.3992399E+00 Ellipticity -0.1674574E+00 Gb(Abramov) 0.1988858E-02 Vb(Abramov) -0.1265169E-02 Hb(Abramov) 0.7236898E-03 Ex_ueg -0.3214388E-03 Ec_ueg -0.6244301E-04 Delta_ex -0.3373950E-03 Delta_ec 0.6723778E-04 Delta_et -0.4273023E-03 Pxc 0.5147715E+01 Qxc -0.5017937E+01 3,+3 93 3 -1 0.858455 1.830892 -2.964888 Rho 0.1222830E+00 |GRAD(Rho)| 0.5757996E-15 GRAD(Rho)x -0.3712037E-15 GRAD(Rho)y 0.3147168E-15 GRAD(Rho)z 0.3077440E-15 Laplacian 0.4615771E+00 (-1/4)Del**2(Rho)) -0.1153943E+00 Diamond 0.7444498E+00 Metallicity 0.4497584E+01 Ellipticity 0.1345424E-01 Gb(Abramov) 0.1634288E+00 Vb(Abramov) -0.2114632E+00 Hb(Abramov) -0.4803448E-01 Ex_ueg -0.4482704E-01 Ec_ueg -0.6693631E-02 Delta_ex -0.4733913E-01 Delta_ec 0.1259909E-01 Delta_et -0.1629675E+00 Pxc 0.6696969E+01 Qxc -0.3757345E+01 3,-1 94 3 -1 0.733406 1.822783 3.002198 Rho 0.1509173E+00 |GRAD(Rho)| 0.5109310E-13 GRAD(Rho)x -0.3737426E-13 GRAD(Rho)y 0.3340679E-13 GRAD(Rho)z -0.9882110E-14 Laplacian 0.6449767E+00 (-1/4)Del**2(Rho)) -0.1612442E+00 Diamond 0.1345853E+01 Metallicity 0.4570541E+01 Ellipticity 0.1084974E-01 Gb(Abramov) 0.2303250E+00 Vb(Abramov) -0.2994058E+00 Hb(Abramov) -0.6908079E-01 Ex_ueg -0.5934314E-01 Ec_ueg -0.8502262E-02 Delta_ex -0.6965688E-01 Delta_ec 0.1685490E-01 Delta_et -0.2257605E+00 Pxc 0.6979688E+01 Qxc -0.4132737E+01 3,-1 95 3 -1 0.951369 -2.905895 2.164659 Rho 0.1662217E+00 |GRAD(Rho)| 0.8349437E-09 GRAD(Rho)x 0.4602126E-09 GRAD(Rho)y -0.4513287E-09 GRAD(Rho)z -0.5306955E-09 Laplacian 0.6402408E+00 (-1/4)Del**2(Rho)) -0.1600602E+00 Diamond 0.1474909E+01 Metallicity 0.5408573E+01 Ellipticity 0.6627522E-01 Gb(Abramov) 0.2509897E+00 Vb(Abramov) -0.3419192E+00 Hb(Abramov) -0.9092949E-01 Ex_ueg -0.6749973E-01 Ec_ueg -0.9489899E-02 Delta_ex -0.7058777E-01 Delta_ec 0.1594006E-01 Delta_et -0.2153424E+00 Pxc 0.7112798E+01 Qxc -0.4428326E+01 3,-1 96 3 -1 0.578171 -1.698821 1.812158 Rho 0.5741746E-01 |GRAD(Rho)| 0.1043949E-15 GRAD(Rho)x -0.2206796E-16 GRAD(Rho)y -0.7163485E-16 GRAD(Rho)z 0.7266187E-16 Laplacian 0.2287223E+00 (-1/4)Del**2(Rho)) -0.5718057E-01 Diamond 0.1365947E+00 Metallicity 0.2574609E+01 Ellipticity 0.2474527E-01 Gb(Abramov) 0.6265665E-01 Vb(Abramov) -0.6813273E-01 Hb(Abramov) -0.5476077E-02 Ex_ueg -0.1635976E-01 Ec_ueg -0.2828808E-02 Delta_ex -0.1937770E-01 Delta_ec 0.6594171E-02 Delta_et -0.7197395E-01 Pxc 0.5783270E+01 Qxc -0.2938611E+01 3,-1 97 3 +1 1.241454 -2.228812 1.139824 Rho 0.3225846E-01 |GRAD(Rho)| 0.1103340E-13 GRAD(Rho)x 0.8791298E-14 GRAD(Rho)y -0.4713742E-14 GRAD(Rho)z -0.4714839E-14 Laplacian 0.1300839E+00 (-1/4)Del**2(Rho)) -0.3252098E-01 Diamond 0.2291955E-01 Metallicity 0.1731659E+01 Ellipticity -0.3793662E+01 Gb(Abramov) 0.3106653E-01 Vb(Abramov) -0.2961207E-01 Hb(Abramov) 0.1454454E-02 Ex_ueg -0.7584203E-02 Ec_ueg -0.1460679E-02 Delta_ex -0.8568330E-02 Delta_ec 0.2034370E-02 Delta_et -0.1909043E-01 Pxc 0.5192245E+01 Qxc -0.4211785E+01 3,+1 98 3 +1 1.847608 1.879429 1.845074 Rho 0.1120254E-01 |GRAD(Rho)| 0.9163740E-17 GRAD(Rho)x -0.8166387E-17 GRAD(Rho)y 0.3797387E-17 GRAD(Rho)z 0.1692366E-17 Laplacian 0.5236227E-01 (-1/4)Del**2(Rho)) -0.1309057E-01 Diamond 0.1856835E-02 Metallicity 0.7381115E+00 Ellipticity -0.1272701E+01 Gb(Abramov) 0.1033743E-01 Vb(Abramov) -0.7584289E-02 Hb(Abramov) 0.2753140E-02 Ex_ueg -0.1851286E-02 Ec_ueg -0.4228816E-03 Delta_ex -0.2511035E-02 Delta_ec 0.6499187E-03 Delta_et -0.4815426E-02 Pxc 0.4377789E+01 Qxc -0.3863615E+01 3,+1 99 3 -1 0.629472 2.856051 2.008898 Rho 0.1036784E+00 |GRAD(Rho)| 0.7331051E-16 GRAD(Rho)x 0.6133874E-16 GRAD(Rho)y -0.2419804E-16 GRAD(Rho)z 0.3203817E-16 Laplacian 0.4565103E+00 (-1/4)Del**2(Rho)) -0.1141276E+00 Diamond 0.6220196E+00 Metallicity 0.3453897E+01 Ellipticity 0.5004400E-01 Gb(Abramov) 0.1417825E+00 Vb(Abramov) -0.1694375E+00 Hb(Abramov) -0.2765495E-01 Ex_ueg -0.3597238E-01 Ec_ueg -0.5548407E-02 Delta_ex -0.4533701E-01 Delta_ec 0.1347120E-01 Delta_et -0.1696255E+00 Pxc 0.6483371E+01 Qxc -0.3365477E+01 3,-1 100 3 -1 1.101025 -1.852117 3.231737 Rho 0.2047009E+00 |GRAD(Rho)| 0.8218037E-11 GRAD(Rho)x 0.5972787E-11 GRAD(Rho)y 0.4351416E-11 GRAD(Rho)z 0.3595432E-11 Laplacian 0.7568146E+00 (-1/4)Del**2(Rho)) -0.1892036E+00 Diamond 0.2248300E+01 Metallicity 0.6473760E+01 Ellipticity 0.3924550E-01 Gb(Abramov) 0.3302789E+00 Vb(Abramov) -0.4713542E+00 Hb(Abramov) -0.1410753E+00 Ex_ueg -0.8910007E-01 Ec_ueg -0.1203322E-01 Delta_ex -0.8799968E-01 Delta_ec 0.1794213E-01 Delta_et -0.2479857E+00 Pxc 0.7404509E+01 Qxc -0.4904641E+01 3,-1 101 3 +1 1.586979 -0.904148 2.113195 Rho 0.1640432E-01 |GRAD(Rho)| 0.3931972E-12 GRAD(Rho)x -0.2989841E-12 GRAD(Rho)y -0.2355477E-12 GRAD(Rho)z -0.9863993E-13 Laplacian 0.5476153E-01 (-1/4)Del**2(Rho)) -0.1369038E-01 Diamond 0.2718536E-02 Metallicity 0.1332706E+01 Ellipticity -0.1619885E+01 Gb(Abramov) 0.1216780E-01 Vb(Abramov) -0.1064521E-01 Hb(Abramov) 0.1522584E-02 Ex_ueg -0.3078429E-02 Ec_ueg -0.6665229E-03 Delta_ex -0.2801474E-02 Delta_ec 0.4884462E-03 Delta_et -0.4085262E-02 Pxc 0.4618640E+01 Qxc -0.5735482E+01 3,+1 102 3 -1 1.649022 1.797234 -0.519620 Rho 0.2558253E-01 |GRAD(Rho)| 0.6732457E-16 GRAD(Rho)x -0.4739030E-16 GRAD(Rho)y -0.4065531E-16 GRAD(Rho)z -0.2517745E-16 Laplacian 0.8863273E-01 (-1/4)Del**2(Rho)) -0.2215818E-01 Diamond 0.1557983E-01 Metallicity 0.1726864E+01 Ellipticity 0.4379191E+00 Gb(Abramov) 0.2114948E-01 Vb(Abramov) -0.2014078E-01 Hb(Abramov) 0.1008700E-02 Ex_ueg -0.5567279E-02 Ec_ueg -0.1118088E-02 Delta_ex -0.5927164E-02 Delta_ec 0.2183637E-02 Delta_et -0.1923765E-01 Pxc 0.4979285E+01 Qxc -0.2714354E+01 3,-1 103 3 +1 2.850610 -0.029464 0.024190 Rho 0.3621816E-02 |GRAD(Rho)| 0.1882616E-17 GRAD(Rho)x -0.1014983E-18 GRAD(Rho)y -0.1861156E-17 GRAD(Rho)z 0.2646508E-18 Laplacian 0.1452114E-01 (-1/4)Del**2(Rho)) -0.3630286E-02 Diamond 0.1876311E-03 Metallicity 0.4053433E+00 Ellipticity -0.1552876E+01 Gb(Abramov) 0.2665443E-02 Vb(Abramov) -0.1700599E-02 Hb(Abramov) 0.9648434E-03 Ex_ueg -0.4107904E-03 Ec_ueg -0.8809475E-04 Delta_ex -0.6338197E-03 Delta_ec 0.3757555E-03 Delta_et -0.1885436E-02 Pxc 0.4663052E+01 Qxc -0.1686787E+01 3,+1 104 3 -1 1.566533 -1.795526 0.488294 Rho 0.5625279E-01 |GRAD(Rho)| 0.5085884E-16 GRAD(Rho)x -0.3917781E-16 GRAD(Rho)y 0.2695005E-16 GRAD(Rho)z 0.1803926E-16 Laplacian 0.2187766E+00 (-1/4)Del**2(Rho)) -0.5469416E-01 Diamond 0.1287574E+00 Metallicity 0.2601272E+01 Ellipticity 0.1985667E-01 Gb(Abramov) 0.6017516E-01 Vb(Abramov) -0.6565617E-01 Hb(Abramov) -0.5481008E-02 Ex_ueg -0.1591881E-01 Ec_ueg -0.2763313E-02 Delta_ex -0.1850060E-01 Delta_ec 0.6419846E-02 Delta_et -0.6975406E-01 Pxc 0.5760769E+01 Qxc -0.2881783E+01 3,-1 105 3 +1 1.980725 -0.773693 1.556591 Rho 0.1927983E-01 |GRAD(Rho)| 0.5219910E-16 GRAD(Rho)x 0.5115787E-16 GRAD(Rho)y 0.3257272E-17 GRAD(Rho)z 0.9849312E-17 Laplacian 0.6883088E-01 (-1/4)Del**2(Rho)) -0.1720772E-01 Diamond 0.5464436E-02 Metallicity 0.1387827E+01 Ellipticity -0.2288194E+01 Gb(Abramov) 0.1545204E-01 Vb(Abramov) -0.1369635E-01 Hb(Abramov) 0.1755684E-02 Ex_ueg -0.3818177E-02 Ec_ueg -0.8052666E-03 Delta_ex -0.3868332E-02 Delta_ec 0.9394483E-03 Delta_et -0.7862320E-02 Pxc 0.4741507E+01 Qxc -0.4117664E+01 3,+1 106 3 -1 1.777654 2.972640 0.710576 Rho 0.1832727E+00 |GRAD(Rho)| 0.5137473E-12 GRAD(Rho)x 0.3631220E-12 GRAD(Rho)y -0.7856458E-13 GRAD(Rho)z -0.3548328E-12 Laplacian 0.7594319E+00 (-1/4)Del**2(Rho)) -0.1898580E+00 Diamond 0.1947328E+01 Metallicity 0.5365630E+01 Ellipticity 0.1859680E-01 Gb(Abramov) 0.2963566E+00 Vb(Abramov) -0.4028552E+00 Hb(Abramov) -0.1064986E+00 Ex_ueg -0.7688628E-01 Ec_ueg -0.1060649E-01 Delta_ex -0.8564973E-01 Delta_ec 0.1816385E-01 Delta_et -0.2472930E+00 Pxc 0.7248985E+01 Qxc -0.4715395E+01 3,-1 107 3 +3 1.979525 1.919565 -1.850583 Rho 0.1265972E-01 |GRAD(Rho)| 0.1469881E-14 GRAD(Rho)x -0.8293796E-15 GRAD(Rho)y -0.1038756E-14 GRAD(Rho)z 0.6274284E-15 Laplacian 0.5376305E-01 (-1/4)Del**2(Rho)) -0.1344076E-01 Diamond 0.1562888E-02 Metallicity 0.8813930E+00 Ellipticity -0.9644685E+00 Gb(Abramov) 0.1093494E-01 Vb(Abramov) -0.8429118E-02 Hb(Abramov) 0.2505822E-02 Ex_ueg -0.2179134E-02 Ec_ueg -0.4901091E-03 Delta_ex -0.2477045E-02 Delta_ec 0.3348760E-03 Delta_et -0.2814738E-02 Pxc 0.4446222E+01 Qxc -0.7396903E+01 3,+3 108 3 -1 1.793474 0.582186 -1.659106 Rho 0.5154086E-01 |GRAD(Rho)| 0.2340128E-15 GRAD(Rho)x -0.1853473E-15 GRAD(Rho)y 0.5093379E-16 GRAD(Rho)z 0.1334695E-15 Laplacian 0.2013416E+00 (-1/4)Del**2(Rho)) -0.5033540E-01 Diamond 0.1035630E+00 Metallicity 0.2443050E+01 Ellipticity 0.3567054E-01 Gb(Abramov) 0.5405225E-01 Vb(Abramov) -0.5776910E-01 Hb(Abramov) -0.3716850E-02 Ex_ueg -0.1416622E-01 Ec_ueg -0.2500222E-02 Delta_ex -0.1658422E-01 Delta_ec 0.5790736E-02 Delta_et -0.6148242E-01 Pxc 0.5665983E+01 Qxc -0.2863923E+01 3,-1 109 3 -1 2.032150 0.664255 2.861475 Rho 0.1295149E+00 |GRAD(Rho)| 0.3827293E-15 GRAD(Rho)x 0.3535583E-15 GRAD(Rho)y -0.1352678E-15 GRAD(Rho)z -0.5639884E-16 Laplacian 0.5529236E+00 (-1/4)Del**2(Rho)) -0.1382309E+00 Diamond 0.9706685E+00 Metallicity 0.4131881E+01 Ellipticity 0.4605420E-01 Gb(Abramov) 0.1873462E+00 Vb(Abramov) -0.2364615E+00 Hb(Abramov) -0.4911530E-01 Ex_ueg -0.4839623E-01 Ec_ueg -0.7145375E-02 Delta_ex -0.5767415E-01 Delta_ec 0.1521801E-01 Delta_et -0.1993897E+00 Pxc 0.6773084E+01 Qxc -0.3789862E+01 3,-1 110 3 -1 2.211878 -0.733836 3.074957 Rho 0.8576005E-01 |GRAD(Rho)| 0.9274101E-15 GRAD(Rho)x 0.6468350E-15 GRAD(Rho)y 0.5465599E-15 GRAD(Rho)z -0.3781087E-15 Laplacian 0.3706563E+00 (-1/4)Del**2(Rho)) -0.9266407E-01 Diamond 0.4006349E+00 Metallicity 0.3100632E+01 Ellipticity 0.4751009E-01 Gb(Abramov) 0.1096622E+00 Vb(Abramov) -0.1266604E+00 Hb(Abramov) -0.1699817E-01 Ex_ueg -0.2793177E-01 Ec_ueg -0.4470851E-02 Delta_ex -0.3523722E-01 Delta_ec 0.1134802E-01 Delta_et -0.1371589E+00 Pxc 0.6247529E+01 Qxc -0.3105141E+01 3,-1 111 3 -1 2.121700 0.895895 -2.893471 Rho 0.1670708E+00 |GRAD(Rho)| 0.2017845E-15 GRAD(Rho)x -0.1309174E-16 GRAD(Rho)y -0.1060079E-15 GRAD(Rho)z 0.1711955E-15 Laplacian 0.6443434E+00 (-1/4)Del**2(Rho)) -0.1610858E+00 Diamond 0.1495988E+01 Metallicity 0.5419969E+01 Ellipticity 0.5912223E-01 Gb(Abramov) 0.2529039E+00 Vb(Abramov) -0.3447220E+00 Hb(Abramov) -0.9181810E-01 Ex_ueg -0.6795987E-01 Ec_ueg -0.9545103E-02 Delta_ex -0.7115195E-01 Delta_ec 0.1606009E-01 Delta_et -0.2172027E+00 Pxc 0.7119867E+01 Qxc -0.4430357E+01 3,-1 112 3 +1 1.994540 1.936374 -1.870352 Rho 0.1266006E-01 |GRAD(Rho)| 0.4858946E-15 GRAD(Rho)x -0.2732146E-15 GRAD(Rho)y -0.3436932E-15 GRAD(Rho)z 0.2081402E-15 Laplacian 0.5386489E-01 (-1/4)Del**2(Rho)) -0.1346622E-01 Diamond 0.1638660E-02 Metallicity 0.8797651E+00 Ellipticity -0.1033173E+01 Gb(Abramov) 0.1095200E-01 Vb(Abramov) -0.8437779E-02 Hb(Abramov) 0.2514222E-02 Ex_ueg -0.2179211E-02 Ec_ueg -0.4901246E-03 Delta_ex -0.2501331E-02 Delta_ec 0.3704607E-03 Delta_et -0.3059529E-02 Pxc 0.4446238E+01 Qxc -0.6751948E+01 3,+1 113 3 +1 2.134316 1.512294 -0.948551 Rho 0.1884703E-01 |GRAD(Rho)| 0.2708446E-16 GRAD(Rho)x 0.2251547E-16 GRAD(Rho)y 0.1262154E-16 GRAD(Rho)z 0.8204761E-17 Laplacian 0.6344017E-01 (-1/4)Del**2(Rho)) -0.1586004E-01 Diamond 0.4017501E-02 Metallicity 0.1449841E+01 Ellipticity -0.1796264E+01 Gb(Abramov) 0.1440579E-01 Vb(Abramov) -0.1295153E-01 Hb(Abramov) 0.1454258E-02 Ex_ueg -0.3704324E-02 Ec_ueg -0.7842137E-03 Delta_ex -0.3406803E-02 Delta_ec 0.6217782E-03 Delta_et -0.5298442E-02 Pxc 0.4723616E+01 Qxc -0.5479128E+01 3,+1 114 3 -1 2.563656 -1.845759 -0.655038 Rho 0.1265731E+00 |GRAD(Rho)| 0.1851100E-15 GRAD(Rho)x 0.6478786E-16 GRAD(Rho)y -0.1458523E-15 GRAD(Rho)z 0.9378349E-16 Laplacian 0.5322267E+00 (-1/4)Del**2(Rho)) -0.1330567E+00 Diamond 0.8936980E+00 Metallicity 0.4131288E+01 Ellipticity 0.3777158E-01 Gb(Abramov) 0.1803204E+00 Vb(Abramov) -0.2275840E+00 Hb(Abramov) -0.4726369E-01 Ex_ueg -0.4693609E-01 Ec_ueg -0.6961185E-02 Delta_ex -0.5502261E-01 Delta_ec 0.1438820E-01 Delta_et -0.1871871E+00 Pxc 0.6742543E+01 Qxc -0.3824148E+01 3,-1 115 3 -1 2.815557 2.009129 0.613178 Rho 0.1590338E+00 |GRAD(Rho)| 0.3668055E-15 GRAD(Rho)x 0.1904672E-15 GRAD(Rho)y -0.2533509E-15 GRAD(Rho)z 0.1846125E-15 Laplacian 0.6531397E+00 (-1/4)Del**2(Rho)) -0.1632849E+00 Diamond 0.1424739E+01 Metallicity 0.4925189E+01 Ellipticity 0.2156510E-01 Gb(Abramov) 0.2428915E+00 Vb(Abramov) -0.3224980E+00 Hb(Abramov) -0.7960654E-01 Ex_ueg -0.6363622E-01 Ec_ueg -0.9024294E-02 Delta_ex -0.7120524E-01 Delta_ec 0.1641025E-01 Delta_et -0.2203713E+00 Pxc 0.7051656E+01 Qxc -0.4339071E+01 3,-1 116 3 -1 1.907600 3.034276 -0.770962 Rho 0.1495267E+00 |GRAD(Rho)| 0.1377927E-13 GRAD(Rho)x 0.7952216E-14 GRAD(Rho)y -0.2493740E-14 GRAD(Rho)z 0.1097324E-13 Laplacian 0.5870729E+00 (-1/4)Del**2(Rho)) -0.1467682E+00 Diamond 0.1192087E+01 Metallicity 0.4944460E+01 Ellipticity 0.1793137E-01 Gb(Abramov) 0.2187937E+00 Vb(Abramov) -0.2908193E+00 Hb(Abramov) -0.7202552E-01 Ex_ueg -0.5861515E-01 Ec_ueg -0.8413220E-02 Delta_ex -0.6306608E-01 Delta_ec 0.1503016E-01 Delta_et -0.2002756E+00 Pxc 0.6967029E+01 Qxc -0.4195968E+01 3,-1 117 3 -1 2.737804 -0.481999 -1.799314 Rho 0.1588556E+00 |GRAD(Rho)| 0.2376131E-15 GRAD(Rho)x -0.4682229E-16 GRAD(Rho)y -0.2299051E-15 GRAD(Rho)z 0.3756761E-16 Laplacian 0.6806141E+00 (-1/4)Del**2(Rho)) -0.1701535E+00 Diamond 0.1464291E+01 Metallicity 0.4717551E+01 Ellipticity 0.3365466E-01 Gb(Abramov) 0.2472203E+00 Vb(Abramov) -0.3242871E+00 Hb(Abramov) -0.7706681E-01 Ex_ueg -0.6354117E-01 Ec_ueg -0.9012791E-02 Delta_ex -0.7401028E-01 Delta_ec 0.1680253E-01 Delta_et -0.2248512E+00 Pxc 0.7050110E+01 Qxc -0.4404711E+01 3,-1 118 3 -1 3.075012 -0.774938 1.900701 Rho 0.1176623E+00 |GRAD(Rho)| 0.2933681E-15 GRAD(Rho)x 0.8010899E-16 GRAD(Rho)y -0.2276282E-15 GRAD(Rho)z -0.1668316E-15 Laplacian 0.4884028E+00 (-1/4)Del**2(Rho)) -0.1221007E+00 Diamond 0.7634784E+00 Metallicity 0.3986246E+01 Ellipticity 0.2449290E-01 Gb(Abramov) 0.1625210E+00 Vb(Abramov) -0.2029414E+00 Hb(Abramov) -0.4042034E-01 Ex_ueg -0.4258288E-01 Ec_ueg -0.6406873E-02 Delta_ex -0.4979205E-01 Delta_ec 0.1373118E-01 Delta_et -0.1768296E+00 Pxc 0.6646437E+01 Qxc -0.3626203E+01 3,-1 119 3 -1 3.088913 3.459451 0.140740 Rho 0.2538474E+00 |GRAD(Rho)| 0.1003914E-14 GRAD(Rho)x 0.5414506E-15 GRAD(Rho)y 0.8418830E-15 GRAD(Rho)z 0.7685638E-16 Laplacian 0.8966474E+00 (-1/4)Del**2(Rho)) -0.2241619E+00 Diamond 0.3399332E+01 Metallicity 0.7821307E+01 Ellipticity 0.5572549E-02 Gb(Abramov) 0.4416477E+00 Vb(Abramov) -0.6591336E+00 Hb(Abramov) -0.2174859E+00 Ex_ueg -0.1187086E+00 Ec_ueg -0.1540159E-01 Delta_ex -0.1099698E+00 Delta_ec 0.1953456E-01 Delta_et -0.2712627E+00 Pxc 0.7707551E+01 Qxc -0.5629498E+01 3,-1 120 3 -1 3.410452 0.128048 -3.009041 Rho 0.2511833E+00 |GRAD(Rho)| 0.4522118E-13 GRAD(Rho)x -0.6070123E-14 GRAD(Rho)y -0.3210190E-13 GRAD(Rho)z -0.3126622E-13 Laplacian 0.9301624E+00 (-1/4)Del**2(Rho)) -0.2325406E+00 Diamond 0.3442311E+01 Metallicity 0.7408082E+01 Ellipticity 0.4404011E-02 Gb(Abramov) 0.4421404E+00 Vb(Abramov) -0.6517402E+00 Hb(Abramov) -0.2095998E+00 Ex_ueg -0.1170504E+00 Ec_ueg -0.1521561E-01 Delta_ex -0.1135665E+00 Delta_ec 0.1997587E-01 Delta_et -0.2756780E+00 Pxc 0.7692783E+01 Qxc -0.5685181E+01 3,-1 121 3 -1 2.893118 -1.987210 0.766791 Rho 0.1574220E+00 |GRAD(Rho)| 0.2585372E-13 GRAD(Rho)x 0.9572624E-14 GRAD(Rho)y -0.2112156E-13 GRAD(Rho)z -0.1143064E-13 Laplacian 0.6421621E+00 (-1/4)Del**2(Rho)) -0.1605405E+00 Diamond 0.1374806E+01 Metallicity 0.4925053E+01 Ellipticity 0.3452377E-01 Gb(Abramov) 0.2388054E+00 Vb(Abramov) -0.3170704E+00 Hb(Abramov) -0.7826493E-01 Ex_ueg -0.6277774E-01 Ec_ueg -0.8920310E-02 Delta_ex -0.6974868E-01 Delta_ec 0.1602657E-01 Delta_et -0.2145645E+00 Pxc 0.7037618E+01 Qxc -0.4352065E+01 3,-1 122 3 -1 -2.908331 2.105743 0.979139 Rho 0.1686156E+00 |GRAD(Rho)| 0.5573302E-13 GRAD(Rho)x -0.4524934E-13 GRAD(Rho)y 0.3249533E-13 GRAD(Rho)z 0.1649288E-14 Laplacian 0.6462279E+00 (-1/4)Del**2(Rho)) -0.1615570E+00 Diamond 0.1515271E+01 Metallicity 0.5487702E+01 Ellipticity 0.6886301E-01 Gb(Abramov) 0.2554674E+00 Vb(Abramov) -0.3493778E+00 Hb(Abramov) -0.9391043E-01 Ex_ueg -0.6879901E-01 Ec_ueg -0.9645646E-02 Delta_ex -0.7150871E-01 Delta_ec 0.1604225E-01 Delta_et -0.2171313E+00 Pxc 0.7132649E+01 Qxc -0.4457524E+01 3,-1 123 3 -1 -1.689529 1.765575 0.624856 Rho 0.5976334E-01 |GRAD(Rho)| 0.1251446E-15 GRAD(Rho)x -0.8604923E-16 GRAD(Rho)y 0.8945515E-16 GRAD(Rho)z -0.1595260E-16 Laplacian 0.2370242E+00 (-1/4)Del**2(Rho)) -0.5925604E-01 Diamond 0.1491192E+00 Metallicity 0.2655901E+01 Ellipticity 0.2528660E-01 Gb(Abramov) 0.6573372E-01 Vb(Abramov) -0.7221141E-01 Hb(Abramov) -0.6477687E-02 Ex_ueg -0.1725698E-01 Ec_ueg -0.2961266E-02 Delta_ex -0.2027603E-01 Delta_ec 0.6809678E-02 Delta_et -0.7506837E-01 Pxc 0.5827569E+01 Qxc -0.2977532E+01 3,-1 124 3 +1 1.485790 2.011929 -0.809058 Rho 0.2419552E-01 |GRAD(Rho)| 0.3008624E-16 GRAD(Rho)x -0.1612419E-16 GRAD(Rho)y 0.1834667E-16 GRAD(Rho)z -0.1756678E-16 Laplacian 0.8598247E-01 (-1/4)Del**2(Rho)) -0.2149562E-01 Diamond 0.9022529E-02 Metallicity 0.1622164E+01 Ellipticity -0.2516231E+01 Gb(Abramov) 0.2014198E-01 Vb(Abramov) -0.1878835E-01 Hb(Abramov) 0.1353635E-02 Ex_ueg -0.5168506E-02 Ec_ueg -0.1048296E-02 Delta_ex -0.5105147E-02 Delta_ec 0.1109060E-02 Delta_et -0.9800782E-02 Pxc 0.4930389E+01 Qxc -0.4603130E+01 3,+1 125 3 -1 3.020579 2.176996 -0.728671 Rho 0.8807571E-01 |GRAD(Rho)| 0.3351018E-16 GRAD(Rho)x 0.7901123E-17 GRAD(Rho)y -0.3204156E-16 GRAD(Rho)z 0.5817422E-17 Laplacian 0.3559188E+00 (-1/4)Del**2(Rho)) -0.8897970E-01 Diamond 0.3794061E+00 Metallicity 0.3375638E+01 Ellipticity 0.2542041E-01 Gb(Abramov) 0.1093803E+00 Vb(Abramov) -0.1297810E+00 Hb(Abramov) -0.2040064E-01 Ex_ueg -0.2894187E-01 Ec_ueg -0.4608573E-02 Delta_ex -0.3367675E-01 Delta_ec 0.1018962E-01 Delta_et -0.1232949E+00 Pxc 0.6280007E+01 Qxc -0.3305005E+01 3,-1 126 3 +3 1.941863 -1.792602 1.986459 Rho 0.1226245E-01 |GRAD(Rho)| 0.5443085E-17 GRAD(Rho)x 0.4887814E-18 GRAD(Rho)y 0.1503743E-17 GRAD(Rho)z 0.5208360E-17 Laplacian 0.4946275E-01 (-1/4)Del**2(Rho)) -0.1236569E-01 Diamond 0.1286434E-02 Metallicity 0.9084422E+00 Ellipticity -0.8740039E+00 Gb(Abramov) 0.1011604E-01 Vb(Abramov) -0.7866399E-02 Hb(Abramov) 0.2249644E-02 Ex_ueg -0.2088438E-02 Ec_ueg -0.4716983E-03 Delta_ex -0.2233196E-02 Delta_ec 0.2634430E-03 Delta_et -0.2273389E-02 Pxc 0.4427487E+01 Qxc -0.8476962E+01 3,+3 127 3 -1 3.051327 -3.217952 -0.098651 Rho 0.2540669E+00 |GRAD(Rho)| 0.1667883E-14 GRAD(Rho)x 0.1274046E-14 GRAD(Rho)y -0.4466913E-16 GRAD(Rho)z -0.1075474E-14 Laplacian 0.9527578E+00 (-1/4)Del**2(Rho)) -0.2381894E+00 Diamond 0.3583627E+01 Metallicity 0.7371300E+01 Ellipticity 0.6066892E-02 Gb(Abramov) 0.4514206E+00 Vb(Abramov) -0.6646517E+00 Hb(Abramov) -0.2132311E+00 Ex_ueg -0.1188454E+00 Ec_ueg -0.1541693E-01 Delta_ex -0.1167192E+00 Delta_ec 0.2046800E-01 Delta_et -0.2828880E+00 Pxc 0.7708760E+01 Qxc -0.5702521E+01 3,-1 128 3 -1 3.529724 0.167795 3.118034 Rho 0.2342533E+00 |GRAD(Rho)| 0.3099544E-12 GRAD(Rho)x -0.2382851E-12 GRAD(Rho)y -0.4275798E-13 GRAD(Rho)z -0.1935555E-12 Laplacian 0.8347136E+00 (-1/4)Del**2(Rho)) -0.2086784E+00 Diamond 0.2872688E+01 Metallicity 0.7348836E+01 Ellipticity 0.6177606E-02 Gb(Abramov) 0.3947095E+00 Vb(Abramov) -0.5807406E+00 Hb(Abramov) -0.1860311E+00 Ex_ueg -0.1066513E+00 Ec_ueg -0.1404277E-01 Delta_ex -0.1002446E+00 Delta_ec 0.1862483E-01 Delta_et -0.2579808E+00 Pxc 0.7594748E+01 Qxc -0.5382309E+01 3,-1 129 3 -1 1.649424 -2.937131 -0.494716 Rho 0.1480313E+00 |GRAD(Rho)| 0.1374472E-15 GRAD(Rho)x 0.9364796E-17 GRAD(Rho)y 0.1282679E-15 GRAD(Rho)z -0.4849094E-16 Laplacian 0.5741736E+00 (-1/4)Del**2(Rho)) -0.1435434E+00 Diamond 0.1168834E+01 Metallicity 0.4971558E+01 Ellipticity 0.1360020E+00 Gb(Abramov) 0.2146347E+00 Vb(Abramov) -0.2857259E+00 Hb(Abramov) -0.7109125E-01 Ex_ueg -0.5783487E-01 Ec_ueg -0.8317608E-02 Delta_ex -0.6170024E-01 Delta_ec 0.1504290E-01 Delta_et -0.2008462E+00 Pxc 0.6953306E+01 Qxc -0.4101619E+01 3,-1 130 3 -1 1.158457 -3.825007 -1.431101 Rho 0.3340216E+00 |GRAD(Rho)| 0.3631367E-15 GRAD(Rho)x 0.9143996E-16 GRAD(Rho)y -0.4213565E-16 GRAD(Rho)z 0.3489005E-15 Laplacian -0.1736469E+01 (-1/4)Del**2(Rho)) 0.4341173E+00 Diamond 0.6274942E+01 Metallicity -0.6381218E+01 Ellipticity 0.2228765E-02 Gb(Abramov) 0.1722880E+00 Vb(Abramov) -0.7786933E+00 Hb(Abramov) -0.6064053E+00 Ex_ueg -0.1711661E+00 Ec_ueg -0.2118164E-01 Delta_ex 0.1762459E+00 Delta_ec 0.5988966E-01 Delta_et -0.1449481E+01 Pxc 0.8080869E+01 Qxc 0.2942844E+01 3,-1 131 3 -1 1.885085 -2.991016 0.905721 Rho 0.1219116E+00 |GRAD(Rho)| 0.3628878E-15 GRAD(Rho)x 0.2326901E-15 GRAD(Rho)y 0.1348476E-16 GRAD(Rho)z -0.2781385E-15 Laplacian 0.4569571E+00 (-1/4)Del**2(Rho)) -0.1142393E+00 Diamond 0.7358402E+00 Metallicity 0.4520083E+01 Ellipticity 0.1020650E-01 Gb(Abramov) 0.1622213E+00 Vb(Abramov) -0.2102034E+00 Hb(Abramov) -0.4798208E-01 Ex_ueg -0.4464560E-01 Ec_ueg -0.6670528E-02 Delta_ex -0.4685154E-01 Delta_ec 0.1251772E-01 Delta_et -0.1618874E+00 Pxc 0.6692964E+01 Qxc -0.3742817E+01 3,-1 132 3 -1 2.966509 0.742781 1.774147 Rho 0.1295747E+00 |GRAD(Rho)| 0.8529710E-15 GRAD(Rho)x -0.3769398E-15 GRAD(Rho)y -0.5643272E-15 GRAD(Rho)z 0.5167308E-15 Laplacian 0.5674159E+00 (-1/4)Del**2(Rho)) -0.1418540E+00 Diamond 0.1001648E+01 Metallicity 0.4029444E+01 Ellipticity 0.1957266E-01 Gb(Abramov) 0.1898348E+00 Vb(Abramov) -0.2378156E+00 Hb(Abramov) -0.4798079E-01 Ex_ueg -0.4842599E-01 Ec_ueg -0.7149121E-02 Delta_ex -0.5925267E-01 Delta_ec 0.1572297E-01 Delta_et -0.2062132E+00 Pxc 0.6773699E+01 Qxc -0.3768542E+01 3,-1 133 3 -1 3.193670 1.065284 -1.847264 Rho 0.2040799E+00 |GRAD(Rho)| 0.1316385E-15 GRAD(Rho)x -0.5372222E-16 GRAD(Rho)y -0.9969239E-16 GRAD(Rho)z -0.6711211E-16 Laplacian 0.7602996E+00 (-1/4)Del**2(Rho)) -0.1900749E+00 Diamond 0.2251498E+01 Metallicity 0.6411536E+01 Ellipticity 0.5275425E-01 Gb(Abramov) 0.3298286E+00 Vb(Abramov) -0.4695823E+00 Hb(Abramov) -0.1397537E+00 Ex_ueg -0.8873985E-01 Ec_ueg -0.1199151E-01 Delta_ex -0.8834353E-01 Delta_ec 0.1805245E-01 Delta_et -0.2494920E+00 Pxc 0.7400224E+01 Qxc -0.4893715E+01 3,-1 134 3 -1 -1.465442 1.231536 -3.915340 Rho 0.3329498E+00 |GRAD(Rho)| 0.3091954E-15 GRAD(Rho)x -0.1508409E-15 GRAD(Rho)y 0.7833509E-16 GRAD(Rho)z -0.2582875E-15 Laplacian -0.1761312E+01 (-1/4)Del**2(Rho)) 0.4403280E+00 Diamond 0.6330618E+01 Metallicity -0.6257606E+01 Ellipticity 0.2481142E-02 Gb(Abramov) 0.1656811E+00 Vb(Abramov) -0.7716902E+00 Hb(Abramov) -0.6060091E+00 Ex_ueg -0.1704342E+00 Ec_ueg -0.2110201E-01 Delta_ex 0.1785763E+00 Delta_ec 0.6068641E-01 Delta_et -0.1467059E+01 Pxc 0.8076679E+01 Qxc 0.2942608E+01 3,-1 135 3 -1 0.158559 -3.017735 3.427017 Rho 0.2505376E+00 |GRAD(Rho)| 0.4873251E-10 GRAD(Rho)x 0.1247656E-10 GRAD(Rho)y 0.3416333E-10 GRAD(Rho)z -0.3243547E-10 Laplacian 0.9310368E+00 (-1/4)Del**2(Rho)) -0.2327592E+00 Diamond 0.3432406E+01 Metallicity 0.7369438E+01 Ellipticity 0.2574423E-02 Gb(Abramov) 0.4410569E+00 Vb(Abramov) -0.6493546E+00 Hb(Abramov) -0.2082977E+00 Ex_ueg -0.1166493E+00 Ec_ueg -0.1517058E-01 Delta_ex -0.1135838E+00 Delta_ec 0.1998815E-01 Delta_et -0.2757318E+00 Pxc 0.7689178E+01 Qxc -0.5682556E+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 96 79 100 95 135 127 88 76 80 86 93 68 48 87 94 99 82 83 104 114 129 121 131 119 102 115 106 125 116 53 123 62 122 64 49 58 65 51 61 47 66 128 132 109 118 110 108 117 120 133 111 89 52 67 78 72 90 74 45 134 130 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 13 14 14 14 14 15 16 17 23 28 13 24 33 39 41 5 15 23 25 26 34 40 16 21 22 27 35 38 13 18 28 29 39 8 15 20 27 31 40 9 16 25 32 38 16 17 24 32 35 37 13 19 20 22 29 33 15 18 30 31 34 36 17 23 28 36 36 36 43 42 44 2.314559 1.898301 1.802162 1.884122 1.726912 1.721465 2.318173 1.916075 1.937455 1.718065 2.008252 1.971462 2.747859 1.755624 1.905883 2.047737 1.990610 2.152566 2.332439 1.974803 1.936520 1.903146 2.009939 1.723151 2.690978 1.891791 1.834540 2.128456 1.924676 1.727597 2.301463 1.915490 1.878801 1.796176 2.336512 1.933135 1.957147 2.021167 1.913851 1.720853 2.803297 1.755078 1.960111 1.967069 2.012451 2.127168 2.364783 1.884472 1.725925 1.802969 1.881649 1.756703 3.017481 2.999117 3.037307 1.635540 1.765744 1.764534 0.979283 0.979276 0.979327 2.316609 1.898552 1.802384 1.884733 1.726938 1.721471 2.319679 1.917029 1.937733 1.718084 2.009126 1.972176 2.749258 1.755639 1.906062 2.047914 1.990993 2.153538 2.333975 1.975041 1.937259 1.903750 2.010744 1.723163 2.693118 1.892030 1.834796 2.129574 1.925351 1.727624 2.303482 1.915746 1.879390 1.796362 2.337949 1.933906 1.957422 2.021861 1.914508 1.720861 2.805821 1.755083 1.960390 1.967231 2.012855 2.128057 2.366721 1.884674 1.725943 1.803266 1.882181 1.756787 3.037663 3.010381 3.058033 1.635549 1.765797 1.764597 0.979511 0.979507 0.979553 30 29 25 26 22 21 28 26 26 23 26 28 33 26 26 25 27 28 28 24 25 25 24 21 31 25 23 26 25 23 27 29 24 27 29 27 26 26 28 24 33 22 25 24 25 26 27 27 22 23 24 25 33 33 33 22 25 25 22 20 21 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 W O W Ta W W W O O W Ta W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O H H H 2.5345 -0.7249 2.5644 2.3025 2.5453 2.5120 2.5335 -0.7368 -0.7362 2.5453 2.3111 2.5459 -1.0884 -0.8263 -1.0893 -1.0909 -0.7256 -0.9910 -0.8405 -0.9789 -0.8404 -1.0023 -0.7066 -0.9900 -0.9910 -0.7063 -0.9513 -0.7286 -0.9806 -0.7345 -0.9053 -0.9442 -0.9091 -0.9483 -0.9825 2.1284 -0.7229 -0.9024 -0.9471 -0.9720 -0.7358 0.3045 0.3017 0.3008 2.0768 1.9755 2.0998 2.0981 2.1013 2.0943 2.0794 1.9772 1.9745 2.1014 2.0974 2.0718 1.9278 1.9687 1.9273 1.9272 1.8866 1.9286 1.9589 1.9322 1.9587 1.9286 1.8851 1.9282 1.9285 1.9783 1.9379 1.8871 1.9433 1.9752 1.9571 1.9478 1.9561 1.9481 1.9431 0.8968 1.9758 1.9584 1.9475 1.9450 1.9747 0.5931 0.5935 0.5941 6.0782 4.7099 6.0935 6.0564 6.0983 6.0884 6.0775 4.7209 4.7235 6.0982 6.0577 6.0776 5.1291 4.8215 5.1302 5.1322 4.8053 5.0338 4.8494 5.0168 4.8495 5.0469 4.7883 5.0334 5.0344 4.6878 4.9821 4.8077 5.0078 4.7207 4.9096 4.9612 4.9154 4.9648 5.0093 1.4175 4.7075 4.9062 4.9644 4.9951 4.7229 0.1025 0.1048 0.1051 3.2829 0.0395 3.2133 2.5106 3.2261 3.2770 3.2820 0.0387 0.0382 3.2261 2.5012 3.2772 0.0315 0.0361 0.0318 0.0315 0.0337 0.0286 0.0322 0.0299 0.0322 0.0268 0.0333 0.0283 0.0281 0.0403 0.0313 0.0337 0.0296 0.0386 0.0386 0.0352 0.0376 0.0353 0.0301 10.5573 0.0396 0.0377 0.0352 0.0319 0.0383 0.0000 0.0000 0.0000 14.0276 0.0000 14.0291 14.0324 14.0291 14.0284 14.0276 0.0000 0.0000 14.0291 14.0327 14.0275 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 W O W Ta W W W O O W Ta W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O H H H 2.483581 -0.741570 2.546121 2.361198 2.538138 2.502749 2.481084 -0.756948 -0.762211 2.538083 2.367693 2.481723 -1.102329 -0.943513 -1.107675 -1.105453 -0.560074 -0.960647 -0.890860 -0.966313 -0.891636 -0.996053 -0.543654 -0.961091 -0.959821 -0.721095 -0.938511 -0.560927 -0.951613 -0.758644 -0.874525 -0.912020 -0.883289 -0.909190 -0.950906 2.276666 -0.739238 -0.877191 -0.912052 -0.931859 -0.761775 0.127062 0.115401 0.113185 1.956305 -0.618050 1.959673 1.862181 1.960141 1.945082 1.953363 -0.633325 -0.636002 1.958634 1.864373 1.953159 -0.799718 -0.788709 -0.803414 -0.800168 -0.750799 -0.706202 -0.788375 -0.731772 -0.788759 -0.765897 -0.731277 -0.703467 -0.695704 -0.596415 -0.722695 -0.752151 -0.764098 -0.631501 -0.723939 -0.735002 -0.734104 -0.727454 -0.764089 1.728523 -0.615393 -0.727891 -0.732741 -0.736337 -0.636174 0.407695 0.397707 0.394790 2.083312 -0.613625 2.100912 1.952494 2.092033 2.032528 2.073535 -0.600805 -0.630289 2.091151 1.957171 2.072990 -0.860553 -0.777537 -0.859791 -0.857672 -0.744293 -0.823384 -0.764550 -0.812584 -0.764891 -0.853563 -0.709296 -0.823903 -0.821204 -0.594313 -0.793047 -0.753224 -0.826572 -0.624466 -0.741430 -0.788083 -0.750871 -0.784337 -0.825666 1.728879 -0.609711 -0.742011 -0.785244 -0.800548 -0.628774 0.394240 0.391928 0.395063 -13.63674439 -12.50409165 -17.33345952 25.35274984 -0.04420678 5.24185043 -6.70332493 6.10388210 -10.28680775 -6.05967531 -311.8577 325.4517 -60.3346 -307.5684 -6.4353 -360.7444 Jun19-2024 12:31:13 Nodes: 1 Procs: 1 Jun19-2024 12:31:15 Nodes: 1 Procs: 1 0 Jun19-2024 12:31:18 Nodes: 1 Procs: 1 Jun19-2024 12:31:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 12:31:23 Nodes: 1 Procs: 1 Jun19-2024 12:31:26 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 12:31:30 Nodes: 1 Procs: 1 Jun19-2024 12:31:31 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 12:31:34 Nodes: 1 Procs: 1 Jun19-2024 12:31:36 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun19-2024 12:31:41 Nodes: 1 Procs: 5 *** (NO TITLE) *** -2 -12.65056806 -13.04805297 -12.88856601 -13.19563728 -13.22625357 -13.23413215 -13.23957412 -13.24364169 -13.24658227 -13.24819878 -13.25098788 -13.25200818 -13.25290015 -13.25378193 -13.25452635 -13.25518288 -13.25542535 -13.25583123 -13.25619741 -13.25634655 -13.25651345 -13.25668445 -13.25681988 -13.25691590 -13.25697284 -13.25700417 -13.25703625 -13.25704669 -13.25704934 -13.25706909 -13.25707725 -13.25709302 -13.25711270 GEOMETRY CONVERGED