ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 08:34:23 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.77 0.03 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 Jun20-2024 08:34:23 Nodes: 1 Procs: 1 Jun20-2024 08:34:25 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 08:34:28 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.49 0.06 2.32 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 Jun20-2024 08:34:23 Nodes: 1 Procs: 1 Jun20-2024 08:34:25 Nodes: 1 Procs: 1 0 Jun20-2024 08:34:28 Nodes: 1 Procs: 1 Jun20-2024 08:34:29 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 08:34:32 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.08 3.41 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 Jun20-2024 08:34:23 Nodes: 1 Procs: 1 Jun20-2024 08:34:25 Nodes: 1 Procs: 1 0 Jun20-2024 08:34:28 Nodes: 1 Procs: 1 Jun20-2024 08:34:29 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 08:34:32 Nodes: 1 Procs: 1 Jun20-2024 08:34:35 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 08:34:39 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.66 0.09 3.25 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 Jun20-2024 08:34:23 Nodes: 1 Procs: 1 Jun20-2024 08:34:25 Nodes: 1 Procs: 1 0 Jun20-2024 08:34:28 Nodes: 1 Procs: 1 Jun20-2024 08:34:29 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 08:34:32 Nodes: 1 Procs: 1 Jun20-2024 08:34:35 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 08:34:39 Nodes: 1 Procs: 1 Jun20-2024 08:34:42 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 08:34:46 Hydrogen (TZP) c3-19 c3-19 c3-19 c3-19 c3-19 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.06 2.04 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 Jun20-2024 08:34:23 Nodes: 1 Procs: 1 Jun20-2024 08:34:25 Nodes: 1 Procs: 1 0 Jun20-2024 08:34:28 Nodes: 1 Procs: 1 Jun20-2024 08:34:29 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 08:34:32 Nodes: 1 Procs: 1 Jun20-2024 08:34:35 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 08:34:39 Nodes: 1 Procs: 1 Jun20-2024 08:34:42 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 08:34:46 Nodes: 1 Procs: 1 Jun20-2024 08:34:47 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 08:34:51 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2256.1085999999996 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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 Jun20-2024 08:34:35 1 1 Tantalum TZP 4d t21.O ADF 2019.304 Jun20-2024 08:34:47 1 1 Oxygen TZP 1s t21.W ADF 2019.304 Jun20-2024 08:34:42 1 1 Tungsten TZP 4d t21.As ADF 2019.304 Jun20-2024 08:34:29 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun20-2024 08:34:25 1 1 Hydrogen TZP 1 1 -14.81508675 0.18576163 0.00100000 F 0.07245817 0.00066667 F 0.18576163 0.07245817 0.25160742 0.01000000 F 0.05041456 0.00666667 F Cartesian 2256.1085999999996 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0.3571797E-02 Vb(Abramov) -0.2473214E-02 Hb(Abramov) 0.1098583E-02 Ex_ueg -0.6773013E-03 Ec_ueg -0.1585437E-03 Delta_ex -0.9320814E-03 Delta_ec 0.5771085E-03 Delta_et -0.3188506E-02 Pxc 0.4272018E+01 Qxc -0.1615089E+01 3,+1 48 3 -1 -1.968175 0.856560 -1.048875 Rho 0.7311010E-02 |GRAD(Rho)| 0.6085838E-16 GRAD(Rho)x -0.3740939E-16 GRAD(Rho)y 0.3836815E-16 GRAD(Rho)z 0.2884727E-16 Laplacian 0.2602113E-01 (-1/4)Del**2(Rho)) -0.6505283E-02 Diamond 0.1110260E-02 Metallicity 0.7293163E+00 Ellipticity 0.1223237E+00 Gb(Abramov) 0.5127590E-02 Vb(Abramov) -0.3749897E-02 Hb(Abramov) 0.1377693E-02 Ex_ueg -0.1047985E-02 Ec_ueg -0.2476816E-03 Delta_ex -0.1450072E-02 Delta_ec 0.9175814E-03 Delta_et -0.5545791E-02 Pxc 0.4231176E+01 Qxc -0.1580319E+01 3,-1 49 3 +1 -1.899413 0.537523 1.424560 Rho 0.6159356E-02 |GRAD(Rho)| 0.3813721E-13 GRAD(Rho)x 0.8635785E-14 GRAD(Rho)y -0.3502381E-13 GRAD(Rho)z -0.1237753E-13 Laplacian 0.2149655E-01 (-1/4)Del**2(Rho)) -0.5374136E-02 Diamond 0.4576124E-03 Metallicity 0.6634426E+00 Ellipticity -0.1818181E+01 Gb(Abramov) 0.4176996E-02 Vb(Abramov) -0.2979856E-02 Hb(Abramov) 0.1197140E-02 Ex_ueg -0.8338709E-03 Ec_ueg -0.1971408E-03 Delta_ex -0.9685024E-03 Delta_ec 0.4182618E-03 Delta_et -0.2519554E-02 Pxc 0.4229824E+01 Qxc -0.2315541E+01 3,+1 50 3 -1 -1.921622 0.945636 0.931285 Rho 0.7339011E-02 |GRAD(Rho)| 0.2152943E-14 GRAD(Rho)x -0.2832622E-15 GRAD(Rho)y 0.2128599E-14 GRAD(Rho)z 0.1549056E-15 Laplacian 0.2595051E-01 (-1/4)Del**2(Rho)) -0.6487629E-02 Diamond 0.1108050E-02 Metallicity 0.7359751E+00 Ellipticity 0.3390612E+00 Gb(Abramov) 0.5120874E-02 Vb(Abramov) -0.3754120E-02 Hb(Abramov) 0.1366754E-02 Ex_ueg -0.1053340E-02 Ec_ueg -0.2489182E-03 Delta_ex -0.1444488E-02 Delta_ec 0.9102098E-03 Delta_et -0.5509233E-02 Pxc 0.4231669E+01 Qxc -0.1586984E+01 3,-1 51 3 -1 -2.076676 1.231616 2.315989 Rho 0.3898160E-01 |GRAD(Rho)| 0.1272113E-13 GRAD(Rho)x -0.4500394E-14 GRAD(Rho)y 0.1116671E-13 GRAD(Rho)z -0.4108314E-14 Laplacian 0.1145562E+00 (-1/4)Del**2(Rho)) -0.2863905E-01 Diamond 0.6036574E-01 Metallicity 0.2695839E+01 Ellipticity 0.6965467E-02 Gb(Abramov) 0.3196041E-01 Vb(Abramov) -0.3528178E-01 Hb(Abramov) -0.3321363E-02 Ex_ueg -0.9761831E-02 Ec_ueg -0.1815545E-02 Delta_ex -0.1000086E-01 Delta_ec 0.5453364E-02 Delta_et -0.5401968E-01 Pxc 0.5376805E+01 Qxc -0.1833889E+01 3,-1 52 3 -1 -2.155901 1.494451 -2.171686 Rho 0.3152719E+00 |GRAD(Rho)| 0.8834329E-15 GRAD(Rho)x -0.6937124E-15 GRAD(Rho)y -0.5145835E-15 GRAD(Rho)z -0.1855280E-15 Laplacian -0.1542031E+01 (-1/4)Del**2(Rho)) 0.3855078E+00 Diamond 0.5362434E+01 Metallicity -0.6526226E+01 Ellipticity 0.3679367E-02 Gb(Abramov) 0.1623133E+00 Vb(Abramov) -0.7101345E+00 Hb(Abramov) -0.5478211E+00 Ex_ueg -0.1584767E+00 Ec_ueg -0.1979793E-01 Delta_ex 0.1524101E+00 Delta_ec 0.5425513E-01 Delta_et -0.1278409E+01 Pxc 0.8004711E+01 Qxc 0.2809137E+01 3,-1 53 3 +1 -1.266685 1.346913 2.621514 Rho 0.1399442E-01 |GRAD(Rho)| 0.1958027E-13 GRAD(Rho)x -0.1616011E-13 GRAD(Rho)y -0.1105562E-13 GRAD(Rho)z 0.1062199E-15 Laplacian 0.6313207E-01 (-1/4)Del**2(Rho)) -0.1578302E-01 Diamond 0.3174689E-02 Metallicity 0.8870637E+00 Ellipticity -0.1445789E+01 Gb(Abramov) 0.1285544E-01 Vb(Abramov) -0.9927854E-02 Hb(Abramov) 0.2927582E-02 Ex_ueg -0.2490721E-02 Ec_ueg -0.5524040E-03 Delta_ex -0.3244302E-02 Delta_ec 0.8406345E-03 Delta_et -0.6528184E-02 Pxc 0.4508876E+01 Qxc -0.3859349E+01 3,+1 54 3 +1 -1.834376 0.312957 -1.573520 Rho 0.5810503E-02 |GRAD(Rho)| 0.4330689E-16 GRAD(Rho)x 0.6207701E-17 GRAD(Rho)y -0.2799298E-16 GRAD(Rho)z 0.3245527E-16 Laplacian 0.1996460E-01 (-1/4)Del**2(Rho)) -0.4991149E-02 Diamond 0.3877627E-03 Metallicity 0.6481998E+00 Ellipticity -0.1776268E+01 Gb(Abramov) 0.3866643E-02 Vb(Abramov) -0.2742137E-02 Hb(Abramov) 0.1124506E-02 Ex_ueg -0.7715014E-03 Ec_ueg -0.1819571E-03 Delta_ex -0.8837794E-03 Delta_ec 0.3816266E-03 Delta_et -0.2265978E-02 Pxc 0.4240018E+01 Qxc -0.2315822E+01 3,+1 55 3 -1 -1.340839 -1.746258 0.864377 Rho 0.5272100E-02 |GRAD(Rho)| 0.5124430E-17 GRAD(Rho)x 0.8546011E-19 GRAD(Rho)y 0.3437421E-17 GRAD(Rho)z -0.3799555E-17 Laplacian 0.1855881E-01 (-1/4)Del**2(Rho)) -0.4639703E-02 Diamond 0.5021598E-03 Metallicity 0.5929741E+00 Ellipticity 0.5566730E+01 Gb(Abramov) 0.3551673E-02 Vb(Abramov) -0.2463642E-02 Hb(Abramov) 0.1088030E-02 Ex_ueg -0.6776882E-03 Ec_ueg -0.1586411E-03 Delta_ex -0.9646107E-03 Delta_ec 0.6421880E-03 Delta_et -0.3520317E-02 Pxc 0.4271832E+01 Qxc -0.1502069E+01 3,-1 56 3 +1 -1.423852 1.125102 -0.932236 Rho 0.6371510E-02 |GRAD(Rho)| 0.1086785E-15 GRAD(Rho)x 0.9335505E-16 GRAD(Rho)y 0.1674954E-16 GRAD(Rho)z 0.5305945E-16 Laplacian 0.2270438E-01 (-1/4)Del**2(Rho)) -0.5676096E-02 Diamond 0.4880722E-03 Metallicity 0.6646209E+00 Ellipticity -0.1709191E+01 Gb(Abramov) 0.4412806E-02 Vb(Abramov) -0.3149516E-02 Hb(Abramov) 0.1263290E-02 Ex_ueg -0.8723850E-03 Ec_ueg -0.2064037E-03 Delta_ex -0.1018861E-02 Delta_ec 0.4202835E-03 Delta_et -0.2569408E-02 Pxc 0.4226596E+01 Qxc -0.2424224E+01 3,+1 57 3 +1 -1.482663 1.101371 0.859375 Rho 0.6877888E-02 |GRAD(Rho)| 0.1271667E-15 GRAD(Rho)x 0.1223830E-15 GRAD(Rho)y 0.2840607E-16 GRAD(Rho)z -0.1966866E-16 Laplacian 0.2478740E-01 (-1/4)Del**2(Rho)) -0.6196849E-02 Diamond 0.6327441E-03 Metallicity 0.6915242E+00 Ellipticity -0.1947772E+01 Gb(Abramov) 0.4845445E-02 Vb(Abramov) -0.3494040E-02 Hb(Abramov) 0.1351405E-02 Ex_ueg -0.9660328E-03 Ec_ueg -0.2286001E-03 Delta_ex -0.1157723E-02 Delta_ec 0.5041107E-03 Delta_et -0.3118212E-02 Pxc 0.4225864E+01 Qxc -0.2296566E+01 3,+1 58 3 +3 -0.956235 0.720010 1.651533 Rho 0.4359564E-02 |GRAD(Rho)| 0.1683755E-15 GRAD(Rho)x 0.8581613E-16 GRAD(Rho)y 0.6890344E-16 GRAD(Rho)z -0.1274292E-15 Laplacian 0.1625332E-01 (-1/4)Del**2(Rho)) -0.4063331E-02 Diamond 0.1132513E-03 Metallicity 0.4932602E+00 Ellipticity -0.2953658E+00 Gb(Abramov) 0.3042934E-02 Vb(Abramov) -0.2022537E-02 Hb(Abramov) 0.1020397E-02 Ex_ueg -0.5259880E-03 Ec_ueg -0.1194572E-03 Delta_ex -0.5620229E-03 Delta_ec 0.1097215E-03 Delta_et -0.7364601E-03 Pxc 0.4403150E+01 Qxc -0.5122270E+01 3,+3 59 3 -1 -1.989874 0.818602 -2.609755 Rho 0.3865070E-01 |GRAD(Rho)| 0.2346242E-13 GRAD(Rho)x 0.1090828E-13 GRAD(Rho)y 0.2007369E-13 GRAD(Rho)z 0.5342409E-14 Laplacian 0.1133274E+00 (-1/4)Del**2(Rho)) -0.2833186E-01 Diamond 0.5906917E-01 Metallicity 0.2686626E+01 Ellipticity 0.4665370E-02 Gb(Abramov) 0.3157409E-01 Vb(Abramov) -0.3481632E-01 Hb(Abramov) -0.3242230E-02 Ex_ueg -0.9651503E-02 Ec_ueg -0.1797871E-02 Delta_ex -0.9877266E-02 Delta_ec 0.5398844E-02 Delta_et -0.5334590E-01 Pxc 0.5368294E+01 Qxc -0.1829515E+01 3,-1 60 3 +1 -1.334505 -0.174434 -1.662856 Rho 0.6135638E-02 |GRAD(Rho)| 0.1549789E-16 GRAD(Rho)x 0.7112265E-17 GRAD(Rho)y -0.6263401E-17 GRAD(Rho)z 0.1226255E-16 Laplacian 0.2186771E-01 (-1/4)Del**2(Rho)) -0.5466928E-02 Diamond 0.5184622E-03 Metallicity 0.6480015E+00 Ellipticity -0.2231416E+01 Gb(Abramov) 0.4235048E-02 Vb(Abramov) -0.3003168E-02 Hb(Abramov) 0.1231880E-02 Ex_ueg -0.8295922E-03 Ec_ueg -0.1961066E-03 Delta_ex -0.1023491E-02 Delta_ec 0.4953563E-03 Delta_et -0.2936305E-02 Pxc 0.4230313E+01 Qxc -0.2066171E+01 3,+1 61 3 +1 -1.222131 -0.130308 1.674551 Rho 0.6063399E-02 |GRAD(Rho)| 0.1470938E-14 GRAD(Rho)x 0.1351192E-14 GRAD(Rho)y -0.3797402E-15 GRAD(Rho)z -0.4401555E-15 Laplacian 0.2178492E-01 (-1/4)Del**2(Rho)) -0.5446230E-02 Diamond 0.4436716E-03 Metallicity 0.6377506E+00 Ellipticity -0.1679916E+01 Gb(Abramov) 0.4209709E-02 Vb(Abramov) -0.2973189E-02 Hb(Abramov) 0.1236521E-02 Ex_ueg -0.8165948E-03 Ec_ueg -0.1929584E-03 Delta_ex -0.9705543E-03 Delta_ec 0.4106176E-03 Delta_et -0.2471097E-02 Pxc 0.4231974E+01 Qxc -0.2363645E+01 3,+1 62 3 -1 -1.677274 -0.144128 -1.643403 Rho 0.6291944E-02 |GRAD(Rho)| 0.4444164E-17 GRAD(Rho)x 0.2936137E-17 GRAD(Rho)y 0.9969753E-18 GRAD(Rho)z 0.3183667E-17 Laplacian 0.2181201E-01 (-1/4)Del**2(Rho)) -0.5453001E-02 Diamond 0.7225084E-03 Metallicity 0.6774735E+00 Ellipticity 0.5141359E+00 Gb(Abramov) 0.4251045E-02 Vb(Abramov) -0.3049088E-02 Hb(Abramov) 0.1201956E-02 Ex_ueg -0.8578899E-03 Ec_ueg -0.2029272E-03 Delta_ex -0.1154710E-02 Delta_ec 0.7229006E-03 Delta_et -0.4191708E-02 Pxc 0.4227575E+01 Qxc -0.1597329E+01 3,-1 63 3 +1 -1.242864 1.245546 -2.712911 Rho 0.1398333E-01 |GRAD(Rho)| 0.9774962E-15 GRAD(Rho)x 0.3568480E-15 GRAD(Rho)y 0.8223893E-15 GRAD(Rho)z 0.3896589E-15 Laplacian 0.6287352E-01 (-1/4)Del**2(Rho)) -0.1571838E-01 Diamond 0.3124815E-02 Metallicity 0.8895353E+00 Ellipticity -0.1436935E+01 Gb(Abramov) 0.1280926E-01 Vb(Abramov) -0.9900145E-02 Hb(Abramov) 0.2909118E-02 Ex_ueg -0.2488089E-02 Ec_ueg -0.5518835E-03 Delta_ex -0.3222456E-02 Delta_ec 0.8231262E-03 Delta_et -0.6400586E-02 Pxc 0.4508359E+01 Qxc -0.3914899E+01 3,+1 64 3 +3 -0.968306 0.737920 -1.659636 Rho 0.4316463E-02 |GRAD(Rho)| 0.4552082E-17 GRAD(Rho)x 0.2814241E-17 GRAD(Rho)y -0.4685796E-18 GRAD(Rho)z -0.3547101E-17 Laplacian 0.1604069E-01 (-1/4)Del**2(Rho)) -0.4010172E-02 Diamond 0.1122150E-03 Metallicity 0.4915906E+00 Ellipticity -0.3695984E+00 Gb(Abramov) 0.3002009E-02 Vb(Abramov) -0.1993845E-02 Hb(Abramov) 0.1008164E-02 Ex_ueg -0.5190658E-03 Ec_ueg -0.1176171E-03 Delta_ex -0.5554128E-03 Delta_ec 0.1122108E-03 Delta_et -0.7440445E-03 Pxc 0.4413185E+01 Qxc -0.4949728E+01 3,+3 65 3 +1 0.520784 3.509346 -0.043656 Rho 0.1144342E-01 |GRAD(Rho)| 0.5017883E-17 GRAD(Rho)x 0.1246864E-17 GRAD(Rho)y 0.2464143E-17 GRAD(Rho)z -0.4189568E-17 Laplacian 0.4786673E-01 (-1/4)Del**2(Rho)) -0.1196668E-01 Diamond 0.1334013E-02 Metallicity 0.8365774E+00 Ellipticity -0.1143526E+01 Gb(Abramov) 0.9646297E-02 Vb(Abramov) -0.7325913E-02 Hb(Abramov) 0.2320385E-02 Ex_ueg -0.1904553E-02 Ec_ueg -0.4339369E-03 Delta_ex -0.2181046E-02 Delta_ec 0.3667482E-03 Delta_et -0.2918608E-02 Pxc 0.4389009E+01 Qxc -0.5946984E+01 3,+1 66 3 +1 0.099393 0.901573 1.603341 Rho 0.7443403E-02 |GRAD(Rho)| 0.6142160E-17 GRAD(Rho)x 0.1437838E-17 GRAD(Rho)y -0.3211918E-17 GRAD(Rho)z 0.5034117E-17 Laplacian 0.2866420E-01 (-1/4)Del**2(Rho)) -0.7166050E-02 Diamond 0.6161658E-03 Metallicity 0.6821700E+00 Ellipticity -0.1378118E+01 Gb(Abramov) 0.5592110E-02 Vb(Abramov) -0.4018171E-02 Hb(Abramov) 0.1573939E-02 Ex_ueg -0.1073364E-02 Ec_ueg -0.2535318E-03 Delta_ex -0.1255145E-02 Delta_ec 0.3897112E-03 Delta_et -0.2577632E-02 Pxc 0.4233647E+01 Qxc -0.3220704E+01 3,+1 67 3 -1 -1.414777 2.645373 -1.838320 Rho 0.1106153E+00 |GRAD(Rho)| 0.1411804E-09 GRAD(Rho)x -0.1234833E-09 GRAD(Rho)y -0.6788132E-10 GRAD(Rho)z -0.8712863E-11 Laplacian 0.4388804E+00 (-1/4)Del**2(Rho)) -0.1097201E+00 Diamond 0.6395120E+00 Metallicity 0.4002138E+01 Ellipticity 0.9775769E-01 Gb(Abramov) 0.1463326E+00 Vb(Abramov) -0.1829450E+00 Hb(Abramov) -0.3661247E-01 Ex_ueg -0.3921677E-01 Ec_ueg -0.5972456E-02 Delta_ex -0.4413891E-01 Delta_ec 0.1258109E-01 Delta_et -0.1602325E+00 Pxc 0.6566272E+01 Qxc -0.3508353E+01 3,-1 68 3 +1 1.425407 0.708785 0.874046 Rho 0.5961355E-02 |GRAD(Rho)| 0.8067423E-13 GRAD(Rho)x 0.2251365E-15 GRAD(Rho)y 0.2195688E-13 GRAD(Rho)z 0.7762844E-13 Laplacian 0.2210041E-01 (-1/4)Del**2(Rho)) -0.5525104E-02 Diamond 0.3556673E-03 Metallicity 0.6111123E+00 Ellipticity -0.1351596E+01 Gb(Abramov) 0.4246146E-02 Vb(Abramov) -0.2967187E-02 Hb(Abramov) 0.1278958E-02 Ex_ueg -0.7983224E-03 Ec_ueg -0.1885155E-03 Delta_ex -0.9189195E-03 Delta_ec 0.3061253E-03 Delta_et -0.1906410E-02 Pxc 0.4234783E+01 Qxc -0.3001776E+01 3,+1 69 3 -1 -1.469390 2.640396 1.742015 Rho 0.1964280E+00 |GRAD(Rho)| 0.4488589E-14 GRAD(Rho)x 0.3900309E-14 GRAD(Rho)y 0.2221042E-14 GRAD(Rho)z 0.4467294E-16 Laplacian 0.7791154E+00 (-1/4)Del**2(Rho)) -0.1947788E+00 Diamond 0.2143175E+01 Metallicity 0.5870615E+01 Ellipticity 0.1600937E-01 Gb(Abramov) 0.3204312E+00 Vb(Abramov) -0.4460835E+00 Hb(Abramov) -0.1256523E+00 Ex_ueg -0.8433143E-01 Ec_ueg -0.1147933E-01 Delta_ex -0.8923325E-01 Delta_ec 0.1794118E-01 Delta_et -0.2446380E+00 Pxc 0.7346372E+01 Qxc -0.4973656E+01 3,-1 70 3 -1 -0.763212 3.572219 -0.835516 Rho 0.1196414E+00 |GRAD(Rho)| 0.1086106E-13 GRAD(Rho)x 0.1725515E-14 GRAD(Rho)y -0.2825424E-14 GRAD(Rho)z -0.1034418E-13 Laplacian 0.4857475E+00 (-1/4)Del**2(Rho)) -0.1214369E+00 Diamond 0.7711881E+00 Metallicity 0.4121023E+01 Ellipticity 0.3595287E-01 Gb(Abramov) 0.1643653E+00 Vb(Abramov) -0.2072937E+00 Hb(Abramov) -0.4292840E-01 Ex_ueg -0.4354053E-01 Ec_ueg -0.6529510E-02 Delta_ex -0.4966891E-01 Delta_ec 0.1351986E-01 Delta_et -0.1745106E+00 Pxc 0.6668269E+01 Qxc -0.3673773E+01 3,-1 71 3 -1 -0.824482 3.542537 0.804469 Rho 0.1279590E+00 |GRAD(Rho)| 0.4501748E-12 GRAD(Rho)x 0.7691190E-13 GRAD(Rho)y -0.1456165E-12 GRAD(Rho)z 0.4189722E-12 Laplacian 0.4888987E+00 (-1/4)Del**2(Rho)) -0.1222247E+00 Diamond 0.8200778E+00 Metallicity 0.4579792E+01 Ellipticity 0.2147585E-01 Gb(Abramov) 0.1747771E+00 Vb(Abramov) -0.2273294E+00 Hb(Abramov) -0.5255238E-01 Ex_ueg -0.4762258E-01 Ec_ueg -0.7047887E-02 Delta_ex -0.5053131E-01 Delta_ec 0.1292632E-01 Delta_et -0.1680234E+00 Pxc 0.6757002E+01 Qxc -0.3909179E+01 3,-1 72 3 -1 -0.784253 3.860131 2.314459 Rho 0.2082721E+00 |GRAD(Rho)| 0.4332846E-15 GRAD(Rho)x 0.1802486E-17 GRAD(Rho)y -0.5193328E-16 GRAD(Rho)z -0.4301572E-15 Laplacian 0.7730316E+00 (-1/4)Del**2(Rho)) -0.1932579E+00 Diamond 0.2319349E+01 Metallicity 0.6523308E+01 Ellipticity 0.1275804E-01 Gb(Abramov) 0.3389521E+00 Vb(Abramov) -0.4846462E+00 Hb(Abramov) -0.1456942E+00 Ex_ueg -0.9117868E-01 Ec_ueg -0.1227350E-01 Delta_ex -0.9012024E-01 Delta_ec 0.1794852E-01 Delta_et -0.2473768E+00 Pxc 0.7428908E+01 Qxc -0.5021040E+01 3,-1 73 3 -1 -0.680688 3.918383 -2.363557 Rho 0.1885991E+00 |GRAD(Rho)| 0.7262205E-14 GRAD(Rho)x 0.6653464E-14 GRAD(Rho)y -0.8392267E-15 GRAD(Rho)z 0.2786887E-14 Laplacian 0.7207750E+00 (-1/4)Del**2(Rho)) -0.1801937E+00 Diamond 0.1926153E+01 Metallicity 0.5929884E+01 Ellipticity 0.9128065E-02 Gb(Abramov) 0.2982171E+00 Vb(Abramov) -0.4162405E+00 Hb(Abramov) -0.1180234E+00 Ex_ueg -0.7987997E-01 Ec_ueg -0.1095871E-01 Delta_ex -0.8197864E-01 Delta_ec 0.1728134E-01 Delta_et -0.2364828E+00 Pxc 0.7289175E+01 Qxc -0.4743765E+01 3,-1 74 3 -1 1.297601 2.080122 0.011168 Rho 0.3366115E-01 |GRAD(Rho)| 0.2264835E-13 GRAD(Rho)x -0.1318589E-13 GRAD(Rho)y -0.1070260E-13 GRAD(Rho)z -0.1498448E-13 Laplacian 0.1350598E+00 (-1/4)Del**2(Rho)) -0.3376495E-01 Diamond 0.4257484E-01 Metallicity 0.1790476E+01 Ellipticity 0.3036534E-01 Gb(Abramov) 0.3258586E-01 Vb(Abramov) -0.3140676E-01 Hb(Abramov) 0.1179093E-02 Ex_ueg -0.8027068E-02 Ec_ueg -0.1533954E-02 Delta_ex -0.1026712E-01 Delta_ec 0.4373269E-02 Delta_et -0.4147032E-01 Pxc 0.5232927E+01 Qxc -0.2347699E+01 3,-1 75 3 +1 -0.422510 2.760151 -0.216172 Rho 0.2570594E-01 |GRAD(Rho)| 0.2342929E-14 GRAD(Rho)x -0.2448611E-15 GRAD(Rho)y 0.1046640E-14 GRAD(Rho)z -0.2081804E-14 Laplacian 0.9675368E-01 (-1/4)Del**2(Rho)) -0.2418842E-01 Diamond 0.1284662E-01 Metallicity 0.1594660E+01 Ellipticity -0.3940610E+01 Gb(Abramov) 0.2255433E-01 Vb(Abramov) -0.2092024E-01 Hb(Abramov) 0.1634088E-02 Ex_ueg -0.5603117E-02 Ec_ueg -0.1124323E-02 Delta_ex -0.6030889E-02 Delta_ec 0.1585364E-02 Delta_et -0.1410170E-01 Pxc 0.4983550E+01 Qxc -0.3804103E+01 3,+1 76 3 -1 -0.928165 -0.117188 -3.460612 Rho 0.1953546E+00 |GRAD(Rho)| 0.1726913E-15 GRAD(Rho)x 0.7779151E-16 GRAD(Rho)y -0.2333576E-17 GRAD(Rho)z -0.1541600E-15 Laplacian 0.7698862E+00 (-1/4)Del**2(Rho)) -0.1924715E+00 Diamond 0.2105043E+01 Metallicity 0.5886980E+01 Ellipticity 0.1850597E-01 Gb(Abramov) 0.3171604E+00 Vb(Abramov) -0.4418492E+00 Hb(Abramov) -0.1246889E+00 Ex_ueg -0.8371754E-01 Ec_ueg -0.1140775E-01 Delta_ex -0.8806089E-01 Delta_ec 0.1776980E-01 Delta_et -0.2422468E+00 Pxc 0.7338658E+01 Qxc -0.4955649E+01 3,-1 77 3 +3 1.800205 0.261964 0.011640 Rho 0.3559569E-02 |GRAD(Rho)| 0.5034158E-16 GRAD(Rho)x 0.2747721E-16 GRAD(Rho)y 0.4187773E-16 GRAD(Rho)z -0.5053010E-17 Laplacian 0.1285564E-01 (-1/4)Del**2(Rho)) -0.3213910E-02 Diamond 0.6100313E-04 Metallicity 0.4448175E+00 Ellipticity -0.1456305E+00 Gb(Abramov) 0.2380874E-02 Vb(Abramov) -0.1547838E-02 Hb(Abramov) 0.8330360E-03 Ex_ueg -0.4014039E-03 Ec_ueg -0.8546177E-04 Delta_ex -0.4112655E-03 Delta_ec 0.6850463E-04 Delta_et -0.4750413E-03 Pxc 0.4696882E+01 Qxc -0.6003469E+01 3,+3 78 3 -1 -0.907574 -0.050353 3.451199 Rho 0.1114657E+00 |GRAD(Rho)| 0.2528950E-12 GRAD(Rho)x 0.2384809E-12 GRAD(Rho)y 0.1876166E-13 GRAD(Rho)z 0.8204115E-13 Laplacian 0.4431660E+00 (-1/4)Del**2(Rho)) -0.1107915E+00 Diamond 0.6518448E+00 Metallicity 0.4014350E+01 Ellipticity 0.9550129E-01 Gb(Abramov) 0.1479870E+00 Vb(Abramov) -0.1851825E+00 Hb(Abramov) -0.3719548E-01 Ex_ueg -0.3961928E-01 Ec_ueg -0.6024688E-02 Delta_ex -0.4465118E-01 Delta_ec 0.1268506E-01 Delta_et -0.1618002E+00 Pxc 0.6576155E+01 Qxc -0.3519982E+01 3,-1 79 3 +1 1.692650 -0.722867 -0.019200 Rho 0.5684120E-02 |GRAD(Rho)| 0.1061388E-16 GRAD(Rho)x -0.1023076E-16 GRAD(Rho)y 0.2733841E-17 GRAD(Rho)z -0.7155018E-18 Laplacian 0.2081671E-01 (-1/4)Del**2(Rho)) -0.5204178E-02 Diamond 0.3208463E-03 Metallicity 0.5992937E+00 Ellipticity -0.1367800E+01 Gb(Abramov) 0.3989257E-02 Vb(Abramov) -0.2774336E-02 Hb(Abramov) 0.1214921E-02 Ex_ueg -0.7492085E-03 Ec_ueg -0.1764710E-03 Delta_ex -0.8608345E-03 Delta_ec 0.2978271E-03 Delta_et -0.1823125E-02 Pxc 0.4245504E+01 Qxc -0.2890383E+01 3,+1 80 3 -1 -1.071505 -0.227062 -0.007669 Rho 0.2047876E+00 |GRAD(Rho)| 0.1397544E-15 GRAD(Rho)x 0.2081668E-16 GRAD(Rho)y 0.1370432E-15 GRAD(Rho)z -0.1780802E-16 Laplacian 0.5944224E+00 (-1/4)Del**2(Rho)) -0.1486056E+00 Diamond 0.1695980E+01 Metallicity 0.8248168E+01 Ellipticity 0.2000451E-02 Gb(Abramov) 0.3033577E+00 Vb(Abramov) -0.4581098E+00 Hb(Abramov) -0.1547521E+00 Ex_ueg -0.8915041E-01 Ec_ueg -0.1203904E-01 Delta_ex -0.6865916E-01 Delta_ec 0.1325928E-01 Delta_et -0.1803550E+00 Pxc 0.7405107E+01 Qxc -0.5178197E+01 3,-1 81 3 -1 -1.805305 -0.016421 1.586326 Rho 0.6889705E-02 |GRAD(Rho)| 0.5418782E-15 GRAD(Rho)x 0.2124569E-16 GRAD(Rho)y 0.1203347E-15 GRAD(Rho)z 0.5279206E-15 Laplacian 0.2449235E-01 (-1/4)Del**2(Rho)) -0.6123088E-02 Diamond 0.9595732E-03 Metallicity 0.7018598E+00 Ellipticity 0.3044606E+00 Gb(Abramov) 0.4798317E-02 Vb(Abramov) -0.3473546E-02 Hb(Abramov) 0.1324771E-02 Ex_ueg -0.9682464E-03 Ec_ueg -0.2291195E-03 Delta_ex -0.1345995E-02 Delta_ec 0.8580517E-03 Delta_et -0.5095894E-02 Pxc 0.4225945E+01 Qxc -0.1568664E+01 3,-1 82 3 -1 0.125038 -0.410069 0.663466 Rho 0.1596854E+00 |GRAD(Rho)| 0.2637140E-14 GRAD(Rho)x 0.1422473E-14 GRAD(Rho)y 0.9610368E-15 GRAD(Rho)z 0.2001871E-14 Laplacian 0.3703311E+00 (-1/4)Del**2(Rho)) -0.9258278E-01 Diamond 0.8276534E+00 Metallicity 0.8745774E+01 Ellipticity 0.8759482E-02 Gb(Abramov) 0.1966732E+00 Vb(Abramov) -0.3007636E+00 Hb(Abramov) -0.1040904E+00 Ex_ueg -0.6398408E-01 Ec_ueg -0.9066373E-02 Delta_ex -0.4055958E-01 Delta_ec 0.9554333E-02 Delta_et -0.1290234E+00 Pxc 0.7057296E+01 Qxc -0.4245150E+01 3,-1 83 3 -1 -0.491048 -3.128499 1.793185 Rho 0.2110812E+00 |GRAD(Rho)| 0.2094923E-13 GRAD(Rho)x -0.1192373E-13 GRAD(Rho)y 0.1554463E-13 GRAD(Rho)z -0.7420185E-14 Laplacian 0.8406000E+00 (-1/4)Del**2(Rho)) -0.2101500E+00 Diamond 0.2517594E+01 Metallicity 0.6134415E+01 Ellipticity 0.7857423E-02 Gb(Abramov) 0.3549579E+00 Vb(Abramov) -0.4997658E+00 Hb(Abramov) -0.1448079E+00 Ex_ueg -0.9282207E-01 Ec_ueg -0.1246300E-01 Delta_ex -0.9804794E-01 Delta_ec 0.1893229E-01 Delta_et -0.2592861E+00 Pxc 0.7447814E+01 Qxc -0.5178874E+01 3,-1 84 3 -1 -0.520965 -3.227276 -1.808525 Rho 0.1854910E+00 |GRAD(Rho)| 0.2805787E-13 GRAD(Rho)x -0.1666337E-13 GRAD(Rho)y 0.2030406E-13 GRAD(Rho)z 0.9865142E-14 Laplacian 0.7466106E+00 (-1/4)Del**2(Rho)) -0.1866526E+00 Diamond 0.1934637E+01 Metallicity 0.5568316E+01 Ellipticity 0.7570532E-02 Gb(Abramov) 0.2976586E+00 Vb(Abramov) -0.4086645E+00 Hb(Abramov) -0.1110059E+00 Ex_ueg -0.7812960E-01 Ec_ueg -0.1075299E-01 Delta_ex -0.8440257E-01 Delta_ec 0.1769711E-01 Delta_et -0.2408997E+00 Pxc 0.7265852E+01 Qxc -0.4769285E+01 3,-1 85 3 -1 0.104478 0.911292 3.316380 Rho 0.1075814E+00 |GRAD(Rho)| 0.3678599E-13 GRAD(Rho)x 0.2186373E-13 GRAD(Rho)y -0.2746641E-13 GRAD(Rho)z 0.1099012E-13 Laplacian 0.4582381E+00 (-1/4)Del**2(Rho)) -0.1145595E+00 Diamond 0.6417199E+00 Metallicity 0.3659464E+01 Ellipticity 0.1154708E-01 Gb(Abramov) 0.1462441E+00 Vb(Abramov) -0.1779287E+00 Hb(Abramov) -0.3168457E-01 Ex_ueg -0.3778924E-01 Ec_ueg -0.5786553E-02 Delta_ex -0.4572635E-01 Delta_ec 0.1310635E-01 Delta_et -0.1658702E+00 Pxc 0.6530527E+01 Qxc -0.3488869E+01 3,-1 86 3 -1 0.066261 0.865783 -3.348125 Rho 0.1367646E+00 |GRAD(Rho)| 0.2284700E-13 GRAD(Rho)x 0.1173001E-14 GRAD(Rho)y 0.5379052E-14 GRAD(Rho)z 0.2217375E-13 Laplacian 0.5510814E+00 (-1/4)Del**2(Rho)) -0.1377703E+00 Diamond 0.9990030E+00 Metallicity 0.4539626E+01 Ellipticity 0.1549814E-01 Gb(Abramov) 0.1960845E+00 Vb(Abramov) -0.2543987E+00 Hb(Abramov) -0.5831420E-01 Ex_ueg -0.5204151E-01 Ec_ueg -0.7601717E-02 Delta_ex -0.5785503E-01 Delta_ec 0.1429297E-01 Delta_et -0.1876847E+00 Pxc 0.6846020E+01 Qxc -0.4047797E+01 3,-1 87 3 +1 0.091571 0.926162 -1.604115 Rho 0.7385960E-02 |GRAD(Rho)| 0.3187292E-15 GRAD(Rho)x 0.7623731E-16 GRAD(Rho)y -0.3068500E-15 GRAD(Rho)z 0.4023994E-16 Laplacian 0.2828548E-01 (-1/4)Del**2(Rho)) -0.7071370E-02 Diamond 0.6049004E-03 Metallicity 0.6824348E+00 Ellipticity -0.1386356E+01 Gb(Abramov) 0.5518538E-02 Vb(Abramov) -0.3965706E-02 Hb(Abramov) 0.1552832E-02 Ex_ueg -0.1062334E-02 Ec_ueg -0.2509925E-03 Delta_ex -0.1237948E-02 Delta_ec 0.3877663E-03 Delta_et -0.2556852E-02 Pxc 0.4232532E+01 Qxc -0.3192510E+01 3,+1 88 3 -1 -0.069134 0.731683 -0.005677 Rho 0.1606667E+00 |GRAD(Rho)| 0.1604223E-15 GRAD(Rho)x -0.5898060E-16 GRAD(Rho)y 0.1491862E-15 GRAD(Rho)z 0.2710505E-18 Laplacian 0.3760963E+00 (-1/4)Del**2(Rho)) -0.9402408E-01 Diamond 0.8464252E+00 Metallicity 0.8700090E+01 Ellipticity 0.6279617E-02 Gb(Abramov) 0.1990190E+00 Vb(Abramov) -0.3040140E+00 Hb(Abramov) -0.1049950E+00 Ex_ueg -0.6450887E-01 Ec_ueg -0.9129794E-02 Delta_ex -0.4125030E-01 Delta_ec 0.9683059E-02 Delta_et -0.1308579E+00 Pxc 0.7065753E+01 Qxc -0.4260049E+01 3,-1 89 3 +3 1.122760 1.097918 -1.634730 Rho 0.3835180E-02 |GRAD(Rho)| 0.3173889E-17 GRAD(Rho)x -0.1917862E-18 GRAD(Rho)y 0.9241164E-18 GRAD(Rho)z 0.3030314E-17 Laplacian 0.1524095E-01 (-1/4)Del**2(Rho)) -0.3810238E-02 Diamond 0.9291370E-04 Metallicity 0.4248581E+00 Ellipticity -0.2270696E+00 Gb(Abramov) 0.2809961E-02 Vb(Abramov) -0.1809683E-02 Hb(Abramov) 0.1000278E-02 Ex_ueg -0.4433697E-03 Ec_ueg -0.9713547E-04 Delta_ex -0.5144203E-03 Delta_ec 0.1116090E-03 Delta_et -0.7116151E-03 Pxc 0.4564447E+01 Qxc -0.4609130E+01 3,+3 90 3 +1 1.540736 1.392903 -2.256119 Rho 0.5124150E-02 |GRAD(Rho)| 0.8699587E-15 GRAD(Rho)x 0.2287140E-15 GRAD(Rho)y -0.6926754E-15 GRAD(Rho)z -0.4740453E-15 Laplacian 0.1980471E-01 (-1/4)Del**2(Rho)) -0.4951176E-02 Diamond 0.4764839E-03 Metallicity 0.5299251E+00 Ellipticity -0.4382883E+01 Gb(Abramov) 0.3738076E-02 Vb(Abramov) -0.2524976E-02 Hb(Abramov) 0.1213100E-02 Ex_ueg -0.6524504E-03 Ec_ueg -0.1522594E-03 Delta_ex -0.9885891E-03 Delta_ec 0.6222781E-03 Delta_et -0.3405017E-02 Pxc 0.4285124E+01 Qxc -0.1588661E+01 3,+1 91 3 -1 0.478789 -1.896891 -1.635786 Rho 0.4498046E-01 |GRAD(Rho)| 0.8110048E-16 GRAD(Rho)x -0.5140802E-17 GRAD(Rho)y -0.7924332E-16 GRAD(Rho)z -0.1647288E-16 Laplacian 0.1829875E+00 (-1/4)Del**2(Rho)) -0.4574687E-01 Diamond 0.8638053E-01 Metallicity 0.2142389E+01 Ellipticity 0.2078770E-01 Gb(Abramov) 0.4683251E-01 Vb(Abramov) -0.4791815E-01 Hb(Abramov) -0.1085642E-02 Ex_ueg -0.1181454E-01 Ec_ueg -0.2139351E-02 Delta_ex -0.1496777E-01 Delta_ec 0.5992222E-02 Delta_et -0.6155791E-01 Pxc 0.5522490E+01 Qxc -0.2497867E+01 3,-1 92 3 +1 0.492498 -1.765237 -0.023007 Rho 0.8407490E-02 |GRAD(Rho)| 0.5498598E-17 GRAD(Rho)x 0.2850904E-17 GRAD(Rho)y -0.4334301E-17 GRAD(Rho)z -0.1822296E-17 Laplacian 0.3280550E-01 (-1/4)Del**2(Rho)) -0.8201376E-02 Diamond 0.8524725E-03 Metallicity 0.7302032E+00 Ellipticity -0.1435475E+01 Gb(Abramov) 0.6465696E-02 Vb(Abramov) -0.4730016E-02 Hb(Abramov) 0.1735680E-02 Ex_ueg -0.1262623E-02 Ec_ueg -0.2963749E-03 Delta_ex -0.1490696E-02 Delta_ec 0.4626423E-03 Delta_et -0.3142942E-02 Pxc 0.4260220E+01 Qxc -0.3222136E+01 3,+1 93 3 -1 0.499198 -1.883957 1.619510 Rho 0.4964805E-01 |GRAD(Rho)| 0.6736395E-16 GRAD(Rho)x 0.3621913E-17 GRAD(Rho)y 0.5107609E-16 GRAD(Rho)z -0.4377233E-16 Laplacian 0.1852639E+00 (-1/4)Del**2(Rho)) -0.4631597E-01 Diamond 0.9211200E-01 Metallicity 0.2494553E+01 Ellipticity 0.1917059E-01 Gb(Abramov) 0.5013359E-01 Vb(Abramov) -0.5395121E-01 Hb(Abramov) -0.3817616E-02 Ex_ueg -0.1347684E-01 Ec_ueg -0.2395429E-02 Delta_ex -0.1518303E-01 Delta_ec 0.5450060E-02 Delta_et -0.5734424E-01 Pxc 0.5626065E+01 Qxc -0.2785846E+01 3,-1 94 3 -1 0.299379 -2.530229 2.808352 Rho 0.1178954E+00 |GRAD(Rho)| 0.1983038E-15 GRAD(Rho)x -0.1915141E-16 GRAD(Rho)y -0.5088974E-17 GRAD(Rho)z 0.1973112E-15 Laplacian 0.4448860E+00 (-1/4)Del**2(Rho)) -0.1112215E+00 Diamond 0.6764246E+00 Metallicity 0.4390620E+01 Ellipticity 0.1359004E-01 Gb(Abramov) 0.1555362E+00 Vb(Abramov) -0.1998510E+00 Hb(Abramov) -0.4431472E-01 Ex_ueg -0.4269538E-01 Ec_ueg -0.6421301E-02 Delta_ex -0.4509263E-01 Delta_ec 0.1199491E-01 Delta_et -0.1537499E+00 Pxc 0.6649023E+01 Qxc -0.3759315E+01 3,-1 95 3 -1 1.769447 -0.678776 -1.640354 Rho 0.3184626E-01 |GRAD(Rho)| 0.1026709E-15 GRAD(Rho)x 0.9829902E-16 GRAD(Rho)y 0.3267085E-17 GRAD(Rho)z -0.2946071E-16 Laplacian 0.1279391E+00 (-1/4)Del**2(Rho)) -0.3198478E-01 Diamond 0.3719133E-01 Metallicity 0.1723352E+01 Ellipticity 0.4552123E-01 Gb(Abramov) 0.3051002E-01 Vb(Abramov) -0.2903527E-01 Hb(Abramov) 0.1474756E-02 Ex_ueg -0.7455263E-02 Ec_ueg -0.1439227E-02 Delta_ex -0.9580788E-02 Delta_ec 0.4113689E-02 Delta_et -0.3840800E-01 Pxc 0.5180047E+01 Qxc -0.2329001E+01 3,-1 96 3 +1 0.354232 -1.589191 -2.397956 Rho 0.2507174E-01 |GRAD(Rho)| 0.9006280E-15 GRAD(Rho)x -0.8104027E-15 GRAD(Rho)y 0.3599202E-15 GRAD(Rho)z -0.1575937E-15 Laplacian 0.9415481E-01 (-1/4)Del**2(Rho)) -0.2353870E-01 Diamond 0.1171494E-01 Metallicity 0.1571851E+01 Ellipticity -0.3246436E+01 Gb(Abramov) 0.2185903E-01 Vb(Abramov) -0.2017935E-01 Hb(Abramov) 0.1679678E-02 Ex_ueg -0.5419564E-02 Ec_ueg -0.1092327E-02 Delta_ex -0.5790280E-02 Delta_ec 0.1472537E-02 Delta_et -0.1303625E-01 Pxc 0.4961486E+01 Qxc -0.3932180E+01 3,+1 97 3 -1 0.103453 -1.132617 -3.673617 Rho 0.1449683E+00 |GRAD(Rho)| 0.2088425E-13 GRAD(Rho)x -0.1753957E-13 GRAD(Rho)y -0.1132726E-13 GRAD(Rho)z -0.4568252E-15 Laplacian 0.5616613E+00 (-1/4)Del**2(Rho)) -0.1404153E+00 Diamond 0.1091753E+01 Metallicity 0.4908253E+01 Ellipticity 0.3931482E-01 Gb(Abramov) 0.2084759E+00 Vb(Abramov) -0.2765365E+00 Hb(Abramov) -0.6806056E-01 Ex_ueg -0.5624480E-01 Ec_ueg -0.8122194E-02 Delta_ex -0.5980668E-01 Delta_ec 0.1435739E-01 Delta_et -0.1901707E+00 Pxc 0.6924829E+01 Qxc -0.4165566E+01 3,-1 98 3 +1 0.319215 -1.229354 2.574700 Rho 0.2564843E-01 |GRAD(Rho)| 0.1673747E-16 GRAD(Rho)x -0.1683989E-17 GRAD(Rho)y -0.8740775E-17 GRAD(Rho)z 0.1417414E-16 Laplacian 0.9642602E-01 (-1/4)Del**2(Rho)) -0.2410651E-01 Diamond 0.1284733E-01 Metallicity 0.1594117E+01 Ellipticity -0.4161843E+01 Gb(Abramov) 0.2247577E-01 Vb(Abramov) -0.2084503E-01 Hb(Abramov) 0.1630735E-02 Ex_ueg -0.5586410E-02 Ec_ueg -0.1121417E-02 Delta_ex -0.6015627E-02 Delta_ec 0.1595674E-02 Delta_et -0.1418230E-01 Pxc 0.4981564E+01 Qxc -0.3769959E+01 3,+1 99 3 -1 0.141625 -1.139396 3.654662 Rho 0.1303199E+00 |GRAD(Rho)| 0.2283770E-15 GRAD(Rho)x 0.6185670E-17 GRAD(Rho)y -0.2207978E-15 GRAD(Rho)z 0.5801837E-16 Laplacian 0.5271263E+00 (-1/4)Del**2(Rho)) -0.1317816E+00 Diamond 0.9240709E+00 Metallicity 0.4379085E+01 Ellipticity 0.4859987E-01 Gb(Abramov) 0.1840348E+00 Vb(Abramov) -0.2362881E+00 Hb(Abramov) -0.5225325E-01 Ex_ueg -0.4879773E-01 Ec_ueg -0.7195878E-02 Delta_ex -0.5496580E-01 Delta_ec 0.1431050E-01 Delta_et -0.1873837E+00 Pxc 0.6781344E+01 Qxc -0.3840941E+01 3,-1 100 3 -1 -0.160394 2.340103 -0.873188 Rho 0.4276710E-01 |GRAD(Rho)| 0.5064742E-12 GRAD(Rho)x 0.1250548E-12 GRAD(Rho)y -0.3305457E-12 GRAD(Rho)z 0.3627905E-12 Laplacian 0.1726192E+00 (-1/4)Del**2(Rho)) -0.4315481E-01 Diamond 0.7539447E-01 Metallicity 0.2087887E+01 Ellipticity 0.2111071E-01 Gb(Abramov) 0.4378693E-01 Vb(Abramov) -0.4441906E-01 Hb(Abramov) -0.6321234E-03 Ex_ueg -0.1104582E-01 Ec_ueg -0.2019150E-02 Delta_ex -0.1390971E-01 Delta_ec 0.5588547E-02 Delta_et -0.5661762E-01 Pxc 0.5470531E+01 Qxc -0.2488968E+01 3,-1 101 3 -1 -0.225972 2.318703 0.855235 Rho 0.4631554E-01 |GRAD(Rho)| 0.5178046E-13 GRAD(Rho)x -0.2264910E-13 GRAD(Rho)y -0.3914540E-13 GRAD(Rho)z -0.2521650E-13 Laplacian 0.1728828E+00 (-1/4)Del**2(Rho)) -0.4322069E-01 Diamond 0.7760331E-01 Metallicity 0.2380890E+01 Ellipticity 0.1600871E-01 Gb(Abramov) 0.4596441E-01 Vb(Abramov) -0.4870813E-01 Hb(Abramov) -0.2743720E-02 Ex_ueg -0.1228440E-01 Ec_ueg -0.2212246E-02 Delta_ex -0.1389392E-01 Delta_ec 0.5037010E-02 Delta_et -0.5203108E-01 Pxc 0.5552910E+01 Qxc -0.2758367E+01 3,-1 102 3 -1 -0.170018 2.396405 -2.442933 Rho 0.1179129E+00 |GRAD(Rho)| 0.3124886E-13 GRAD(Rho)x -0.7812510E-14 GRAD(Rho)y 0.2397443E-13 GRAD(Rho)z 0.1845758E-13 Laplacian 0.5001548E+00 (-1/4)Del**2(Rho)) -0.1250387E+00 Diamond 0.7791545E+00 Metallicity 0.3906410E+01 Ellipticity 0.1205695E-01 Gb(Abramov) 0.1647679E+00 Vb(Abramov) -0.2044971E+00 Hb(Abramov) -0.3972918E-01 Ex_ueg -0.4270385E-01 Ec_ueg -0.6422387E-02 Delta_ex -0.5095119E-01 Delta_ec 0.1393960E-01 Delta_et -0.1794078E+00 Pxc 0.6649217E+01 Qxc -0.3655140E+01 3,-1 103 3 +1 1.401520 -1.701393 -1.771746 Rho 0.2265280E-01 |GRAD(Rho)| 0.1599382E-16 GRAD(Rho)x -0.5394346E-17 GRAD(Rho)y -0.1438364E-16 GRAD(Rho)z -0.4451320E-17 Laplacian 0.8206400E-01 (-1/4)Del**2(Rho)) -0.2051600E-01 Diamond 0.9850284E-02 Metallicity 0.1522872E+01 Ellipticity -0.7376954E+01 Gb(Abramov) 0.1888454E-01 Vb(Abramov) -0.1725308E-01 Hb(Abramov) 0.1631458E-02 Ex_ueg -0.4733846E-02 Ec_ueg -0.9712780E-03 Delta_ex -0.5031031E-02 Delta_ec 0.1498470E-02 Delta_et -0.1287820E-01 Pxc 0.4873833E+01 Qxc -0.3357444E+01 3,+1 104 3 -1 -0.239165 2.409323 2.392265 Rho 0.1475935E+00 |GRAD(Rho)| 0.1191535E-12 GRAD(Rho)x 0.1062969E-12 GRAD(Rho)y -0.1059444E-13 GRAD(Rho)z 0.5278530E-13 Laplacian 0.5938397E+00 (-1/4)Del**2(Rho)) -0.1484599E+00 Diamond 0.1178800E+01 Metallicity 0.4783246E+01 Ellipticity 0.1614847E-01 Gb(Abramov) 0.2173266E+00 Vb(Abramov) -0.2861934E+00 Hb(Abramov) -0.6886674E-01 Ex_ueg -0.5760693E-01 Ec_ueg -0.8289642E-02 Delta_ex -0.6350511E-01 Delta_ec 0.1510099E-01 Delta_et -0.2005077E+00 Pxc 0.6949266E+01 Qxc -0.4205362E+01 3,-1 105 3 +1 2.119206 -2.151354 -0.065290 Rho 0.4201781E-02 |GRAD(Rho)| 0.2392062E-13 GRAD(Rho)x -0.4719569E-14 GRAD(Rho)y 0.3843121E-14 GRAD(Rho)z 0.2313335E-13 Laplacian 0.1596443E-01 (-1/4)Del**2(Rho)) -0.3991107E-02 Diamond 0.2983967E-03 Metallicity 0.4722610E+00 Ellipticity -0.3591113E+01 Gb(Abramov) 0.2974879E-02 Vb(Abramov) -0.1958651E-02 Hb(Abramov) 0.1016228E-02 Ex_ueg -0.5007599E-03 Ec_ueg -0.1127256E-03 Delta_ex -0.7722005E-03 Delta_ec 0.5104126E-03 Delta_et -0.2627486E-02 Pxc 0.4442292E+01 Qxc -0.1512895E+01 3,+1 106 3 -1 0.304880 -2.534327 -2.843073 Rho 0.1047057E+00 |GRAD(Rho)| 0.6551868E-13 GRAD(Rho)x 0.5498206E-13 GRAD(Rho)y 0.2232458E-13 GRAD(Rho)z -0.2777200E-13 Laplacian 0.4237574E+00 (-1/4)Del**2(Rho)) -0.1059394E+00 Diamond 0.5777055E+00 Metallicity 0.3782506E+01 Ellipticity 0.2461779E-01 Gb(Abramov) 0.1374123E+00 Vb(Abramov) -0.1688852E+00 Hb(Abramov) -0.3147293E-01 Ex_ueg -0.3644843E-01 Ec_ueg -0.5610977E-02 Delta_ex -0.4207393E-01 Delta_ec 0.1228863E-01 Delta_et -0.1548115E+00 Pxc 0.6495914E+01 Qxc -0.3423809E+01 3,-1 107 3 +3 1.132327 1.100403 1.624629 Rho 0.3822021E-02 |GRAD(Rho)| 0.2850901E-12 GRAD(Rho)x -0.4759466E-14 GRAD(Rho)y -0.4810075E-13 GRAD(Rho)z -0.2809627E-12 Laplacian 0.1516012E-01 (-1/4)Del**2(Rho)) -0.3790030E-02 Diamond 0.9051544E-04 Metallicity 0.4246837E+00 Ellipticity -0.2081974E+00 Gb(Abramov) 0.2794948E-02 Vb(Abramov) -0.1799865E-02 Hb(Abramov) 0.9950827E-03 Ex_ueg -0.4413426E-03 Ec_ueg -0.9657720E-04 Delta_ex -0.5092759E-03 Delta_ec 0.1075172E-03 Delta_et -0.6912029E-03 Pxc 0.4569842E+01 Qxc -0.4736693E+01 3,+3 108 3 -1 0.334307 -0.411991 2.501679 Rho 0.4152179E-01 |GRAD(Rho)| 0.5343084E-13 GRAD(Rho)x 0.3607721E-13 GRAD(Rho)y 0.1427451E-13 GRAD(Rho)z 0.3673593E-13 Laplacian 0.1676736E+00 (-1/4)Del**2(Rho)) -0.4191839E-01 Diamond 0.7035937E-01 Metallicity 0.2046171E+01 Ellipticity 0.2204835E-01 Gb(Abramov) 0.4224096E-01 Vb(Abramov) -0.4256353E-01 Hb(Abramov) -0.3225704E-03 Ex_ueg -0.1061907E-01 Ec_ueg -0.1951889E-02 Delta_ex -0.1341434E-01 Delta_ec 0.5429994E-02 Delta_et -0.5456942E-01 Pxc 0.5440407E+01 Qxc -0.2470416E+01 3,-1 109 3 -1 0.274388 -0.422780 -2.517350 Rho 0.4270634E-01 |GRAD(Rho)| 0.2298349E-12 GRAD(Rho)x 0.4723089E-13 GRAD(Rho)y -0.5829062E-13 GRAD(Rho)z 0.2172453E-12 Laplacian 0.1591423E+00 (-1/4)Del**2(Rho)) -0.3978557E-01 Diamond 0.6375662E-01 Metallicity 0.2259340E+01 Ellipticity 0.1297069E-01 Gb(Abramov) 0.4150523E-01 Vb(Abramov) -0.4322489E-01 Hb(Abramov) -0.1719662E-02 Ex_ueg -0.1102490E-01 Ec_ueg -0.2015862E-02 Delta_ex -0.1252052E-01 Delta_ec 0.4618866E-02 Delta_et -0.4669682E-01 Pxc 0.5469077E+01 Qxc -0.2710734E+01 3,-1 110 3 -1 0.120088 -0.409497 -0.685750 Rho 0.1624782E+00 |GRAD(Rho)| 0.4874696E-15 GRAD(Rho)x 0.2949030E-16 GRAD(Rho)y 0.1318390E-15 GRAD(Rho)z 0.4683753E-15 Laplacian 0.3808140E+00 (-1/4)Del**2(Rho)) -0.9520351E-01 Diamond 0.8687432E+00 Metallicity 0.8754376E+01 Ellipticity 0.3612436E-02 Gb(Abramov) 0.2023769E+00 Vb(Abramov) -0.3095503E+00 Hb(Abramov) -0.1071734E+00 Ex_ueg -0.6548046E-01 Ec_ueg -0.9247023E-02 Delta_ex -0.4188415E-01 Delta_ec 0.9778372E-02 Delta_et -0.1323484E+00 Pxc 0.7081248E+01 Qxc -0.4283346E+01 3,-1 111 3 +1 1.487785 1.685167 2.091705 Rho 0.5219406E-02 |GRAD(Rho)| 0.3469971E-14 GRAD(Rho)x -0.2481412E-15 GRAD(Rho)y 0.2983431E-14 GRAD(Rho)z -0.1754498E-14 Laplacian 0.2017475E-01 (-1/4)Del**2(Rho)) -0.5043688E-02 Diamond 0.5044203E-03 Metallicity 0.5364222E+00 Ellipticity -0.5616371E+01 Gb(Abramov) 0.3813383E-02 Vb(Abramov) -0.2583078E-02 Hb(Abramov) 0.1230305E-02 Ex_ueg -0.6686721E-03 Ec_ueg -0.1563669E-03 Delta_ex -0.1016684E-02 Delta_ec 0.6446486E-03 Delta_et -0.3542642E-02 Pxc 0.4276301E+01 Qxc -0.1577114E+01 3,+1 112 3 +1 0.998087 2.501885 0.503073 Rho 0.2361733E-01 |GRAD(Rho)| 0.7071468E-16 GRAD(Rho)x 0.1402134E-16 GRAD(Rho)y -0.4925236E-16 GRAD(Rho)z -0.4876651E-16 Laplacian 0.8670958E-01 (-1/4)Del**2(Rho)) -0.2167739E-01 Diamond 0.9341646E-02 Metallicity 0.1545008E+01 Ellipticity -0.2640284E+01 Gb(Abramov) 0.2003355E-01 Vb(Abramov) -0.1838971E-01 Hb(Abramov) 0.1643842E-02 Ex_ueg -0.5004484E-02 Ec_ueg -0.1019354E-02 Delta_ex -0.5177548E-02 Delta_ec 0.1231906E-02 Delta_et -0.1078819E-01 Pxc 0.4909468E+01 Qxc -0.4202874E+01 3,+1 113 3 -1 0.526684 3.394222 -1.570894 Rho 0.1347276E+00 |GRAD(Rho)| 0.6261677E-15 GRAD(Rho)x -0.3983088E-15 GRAD(Rho)y -0.1793203E-15 GRAD(Rho)z -0.4486429E-15 Laplacian 0.5519511E+00 (-1/4)Del**2(Rho)) -0.1379878E+00 Diamond 0.1000878E+01 Metallicity 0.4420523E+01 Ellipticity 0.2995484E-01 Gb(Abramov) 0.1936548E+00 Vb(Abramov) -0.2493219E+00 Hb(Abramov) -0.5566708E-01 Ex_ueg -0.5101061E-01 Ec_ueg -0.7473151E-02 Delta_ex -0.5794472E-01 Delta_ec 0.1474053E-01 Delta_et -0.1938452E+00 Pxc 0.6825851E+01 Qxc -0.3930979E+01 3,-1 114 3 +3 0.490073 3.272572 -0.044333 Rho 0.1130354E-01 |GRAD(Rho)| 0.1349273E-13 GRAD(Rho)x -0.2607642E-14 GRAD(Rho)y -0.1323818E-13 GRAD(Rho)z -0.6772674E-16 Laplacian 0.4665747E-01 (-1/4)Del**2(Rho)) -0.1166437E-01 Diamond 0.9020182E-03 Metallicity 0.8408454E+00 Ellipticity -0.7482771E+00 Gb(Abramov) 0.9410901E-02 Vb(Abramov) -0.7157433E-02 Hb(Abramov) 0.2253468E-02 Ex_ueg -0.1873575E-02 Ec_ueg -0.4275142E-03 Delta_ex -0.2000856E-02 Delta_ec 0.1471882E-03 Delta_et -0.1450722E-02 Pxc 0.4382486E+01 Qxc -0.1359386E+02 3,+3 115 3 -1 0.399808 3.347837 1.518137 Rho 0.1237093E+00 |GRAD(Rho)| 0.1981553E-15 GRAD(Rho)x 0.1778634E-15 GRAD(Rho)y 0.8944668E-18 GRAD(Rho)z -0.8734604E-16 Laplacian 0.4967264E+00 (-1/4)Del**2(Rho)) -0.1241816E+00 Diamond 0.7894880E+00 Metallicity 0.4260887E+01 Ellipticity 0.2310652E-01 Gb(Abramov) 0.1709750E+00 Vb(Abramov) -0.2177685E+00 Hb(Abramov) -0.4679343E-01 Ex_ueg -0.4552553E-01 Ec_ueg -0.6782444E-02 Delta_ex -0.5078989E-01 Delta_ec 0.1299542E-01 Delta_et -0.1675483E+00 Pxc 0.6712260E+01 Qxc -0.3908291E+01 3,-1 116 3 -1 0.693830 -3.998972 -2.282459 Rho 0.1796835E+00 |GRAD(Rho)| 0.4034603E-12 GRAD(Rho)x -0.9846720E-13 GRAD(Rho)y 0.3649224E-12 GRAD(Rho)z 0.1411243E-12 Laplacian 0.6845606E+00 (-1/4)Del**2(Rho)) -0.1711401E+00 Diamond 0.1734876E+01 Metallicity 0.5759459E+01 Ellipticity 0.2731721E-01 Gb(Abramov) 0.2783725E+00 Vb(Abramov) -0.3856049E+00 Hb(Abramov) -0.1072324E+00 Ex_ueg -0.7488521E-01 Ec_ueg -0.1037006E-01 Delta_ex -0.7698373E-01 Delta_ec 0.1674905E-01 Delta_et -0.2284454E+00 Pxc 0.7221294E+01 Qxc -0.4596304E+01 3,-1 117 3 -1 0.654863 -3.956363 2.266747 Rho 0.2064151E+00 |GRAD(Rho)| 0.8445702E-12 GRAD(Rho)x -0.1603390E-12 GRAD(Rho)y 0.7665332E-12 GRAD(Rho)z -0.3162548E-12 Laplacian 0.7663572E+00 (-1/4)Del**2(Rho)) -0.1915893E+00 Diamond 0.2276704E+01 Metallicity 0.6482626E+01 Ellipticity 0.1810958E-01 Gb(Abramov) 0.3347265E+00 Vb(Abramov) -0.4778637E+00 Hb(Abramov) -0.1431372E+00 Ex_ueg -0.9009630E-01 Ec_ueg -0.1214846E-01 Delta_ex -0.8915030E-01 Delta_ec 0.1786105E-01 Delta_et -0.2460918E+00 Pxc 0.7416272E+01 Qxc -0.4991326E+01 3,-1 118 3 -1 0.661967 -3.212966 -0.877269 Rho 0.1039444E+00 |GRAD(Rho)| 0.2896062E-14 GRAD(Rho)x 0.2370808E-14 GRAD(Rho)y 0.8952850E-15 GRAD(Rho)z -0.1401751E-14 Laplacian 0.4473434E+00 (-1/4)Del**2(Rho)) -0.1118358E+00 Diamond 0.6067848E+00 Metallicity 0.3539764E+01 Ellipticity 0.3204027E-02 Gb(Abramov) 0.1405360E+00 Vb(Abramov) -0.1692361E+00 Hb(Abramov) -0.2870013E-01 Ex_ueg -0.3609553E-01 Ec_ueg -0.5564605E-02 Delta_ex -0.4437763E-01 Delta_ec 0.1305904E-01 Delta_et -0.1643575E+00 Pxc 0.6486629E+01 Qxc -0.3398229E+01 3,-1 119 3 -1 0.671236 -3.198544 0.921296 Rho 0.1556216E+00 |GRAD(Rho)| 0.4379747E-15 GRAD(Rho)x -0.4829443E-16 GRAD(Rho)y 0.1658219E-15 GRAD(Rho)z 0.4024830E-15 Laplacian 0.6331770E+00 (-1/4)Del**2(Rho)) -0.1582942E+00 Diamond 0.1336403E+01 Metallicity 0.4900097E+01 Ellipticity 0.1044714E-01 Gb(Abramov) 0.2348057E+00 Vb(Abramov) -0.3113171E+00 Hb(Abramov) -0.7651144E-01 Ex_ueg -0.6182228E-01 Ec_ueg -0.8804345E-02 Delta_ex -0.6857192E-01 Delta_ec 0.1583859E-01 Delta_et -0.2117062E+00 Pxc 0.7021792E+01 Qxc -0.4329421E+01 3,-1 120 3 +1 0.977608 2.532126 -0.562426 Rho 0.2154473E-01 |GRAD(Rho)| 0.2407313E-15 GRAD(Rho)x 0.2164416E-15 GRAD(Rho)y 0.1041345E-15 GRAD(Rho)z 0.1614257E-16 Laplacian 0.7471232E-01 (-1/4)Del**2(Rho)) -0.1867808E-01 Diamond 0.7167824E-02 Metallicity 0.1538589E+01 Ellipticity -0.2921470E+01 Gb(Abramov) 0.1724170E-01 Vb(Abramov) -0.1580533E-01 Hb(Abramov) 0.1436378E-02 Ex_ueg -0.4427649E-02 Ec_ueg -0.9163717E-03 Delta_ex -0.4361250E-02 Delta_ec 0.1079731E-02 Delta_et -0.9248560E-02 Pxc 0.4831717E+01 Qxc -0.4039202E+01 3,+1 121 3 -1 1.078802 -0.096065 -3.617168 Rho 0.1215462E+00 |GRAD(Rho)| 0.1543631E-14 GRAD(Rho)x -0.1526950E-14 GRAD(Rho)y 0.3040848E-18 GRAD(Rho)z -0.2263187E-15 Laplacian 0.4858471E+00 (-1/4)Del**2(Rho)) -0.1214618E+00 Diamond 0.7553672E+00 Metallicity 0.4230087E+01 Ellipticity 0.1758103E-01 Gb(Abramov) 0.1666068E+00 Vb(Abramov) -0.2117519E+00 Hb(Abramov) -0.4514505E-01 Ex_ueg -0.4446725E-01 Ec_ueg -0.6647804E-02 Delta_ex -0.4945933E-01 Delta_ec 0.1274922E-01 Delta_et -0.1638629E+00 Pxc 0.6689014E+01 Qxc -0.3879401E+01 3,-1 122 3 +1 1.503138 -0.465940 -2.302928 Rho 0.2201209E-01 |GRAD(Rho)| 0.3333359E-12 GRAD(Rho)x 0.3215494E-12 GRAD(Rho)y -0.3427924E-13 GRAD(Rho)z 0.8089303E-13 Laplacian 0.7996436E-01 (-1/4)Del**2(Rho)) -0.1999109E-01 Diamond 0.8156759E-02 Metallicity 0.1489884E+01 Ellipticity -0.2908376E+01 Gb(Abramov) 0.1829146E-01 Vb(Abramov) -0.1659183E-01 Hb(Abramov) 0.1699630E-02 Ex_ueg -0.4556173E-02 Ec_ueg -0.9394874E-03 Delta_ex -0.4727815E-02 Delta_ec 0.1214118E-02 Delta_et -0.1043070E-01 Pxc 0.4849637E+01 Qxc -0.3894033E+01 3,+1 123 3 +1 1.409019 0.694086 -0.863879 Rho 0.6162875E-02 |GRAD(Rho)| 0.1258237E-15 GRAD(Rho)x -0.9020633E-16 GRAD(Rho)y 0.6775571E-16 GRAD(Rho)z 0.5570994E-16 Laplacian 0.2299963E-01 (-1/4)Del**2(Rho)) -0.5749906E-02 Diamond 0.3909756E-03 Metallicity 0.6206756E+00 Ellipticity -0.1366128E+01 Gb(Abramov) 0.4428075E-02 Vb(Abramov) -0.3106244E-02 Hb(Abramov) 0.1321831E-02 Ex_ueg -0.8345062E-03 Ec_ueg -0.1972943E-03 Delta_ex -0.9667884E-03 Delta_ec 0.3232982E-03 Delta_et -0.2026744E-02 Pxc 0.4229754E+01 Qxc -0.2990392E+01 3,+1 124 3 -1 1.177924 -0.074776 3.633801 Rho 0.1348914E+00 |GRAD(Rho)| 0.3228170E-15 GRAD(Rho)x -0.3155570E-15 GRAD(Rho)y 0.6447191E-16 GRAD(Rho)z -0.2186192E-16 Laplacian 0.5516703E+00 (-1/4)Del**2(Rho)) -0.1379176E+00 Diamond 0.1001934E+01 Metallicity 0.4431737E+01 Ellipticity 0.2702698E-01 Gb(Abramov) 0.1938141E+00 Vb(Abramov) -0.2497106E+00 Hb(Abramov) -0.5589654E-01 Ex_ueg -0.5109331E-01 Ec_ueg -0.7483478E-02 Delta_ex -0.5793340E-01 Delta_ec 0.1473091E-01 Delta_et -0.1937609E+00 Pxc 0.6827482E+01 Qxc -0.3932778E+01 3,-1 125 3 +1 1.474514 -1.490473 -2.966506 Rho 0.1118051E-01 |GRAD(Rho)| 0.9128475E-17 GRAD(Rho)x 0.8729151E-19 GRAD(Rho)y -0.5974957E-17 GRAD(Rho)z 0.6900821E-17 Laplacian 0.4728241E-01 (-1/4)Del**2(Rho)) -0.1182060E-01 Diamond 0.1333532E-02 Metallicity 0.8147343E+00 Ellipticity -0.1166112E+01 Gb(Abramov) 0.9485511E-02 Vb(Abramov) -0.7150418E-02 Hb(Abramov) 0.2335093E-02 Ex_ueg -0.1846434E-02 Ec_ueg -0.4218717E-03 Delta_ex -0.2158713E-02 Delta_ec 0.3948649E-03 Delta_et -0.3084146E-02 Pxc 0.4376766E+01 Qxc -0.5466965E+01 3,+1 126 3 -1 2.549500 -0.323172 2.781409 Rho 0.1113089E+00 |GRAD(Rho)| 0.1733211E-13 GRAD(Rho)x -0.4939896E-16 GRAD(Rho)y 0.1622426E-13 GRAD(Rho)z 0.6096957E-14 Laplacian 0.4575444E+00 (-1/4)Del**2(Rho)) -0.1143861E+00 Diamond 0.6648314E+00 Metallicity 0.3879088E+01 Ellipticity 0.4658573E-02 Gb(Abramov) 0.1502097E+00 Vb(Abramov) -0.1860333E+00 Hb(Abramov) -0.3582360E-01 Ex_ueg -0.3954499E-01 Ec_ueg -0.6015054E-02 Delta_ex -0.4598060E-01 Delta_ec 0.1291482E-01 Delta_et -0.1644280E+00 Pxc 0.6574337E+01 Qxc -0.3560297E+01 3,-1 127 3 -1 1.521697 -2.756982 -2.051253 Rho 0.8433162E-01 |GRAD(Rho)| 0.3203342E-15 GRAD(Rho)x 0.3085843E-15 GRAD(Rho)y 0.7069845E-16 GRAD(Rho)z -0.4890260E-16 Laplacian 0.3531108E+00 (-1/4)Del**2(Rho)) -0.8827770E-01 Diamond 0.3632785E+00 Metallicity 0.3164848E+01 Ellipticity 0.1537281E-01 Gb(Abramov) 0.1054161E+00 Vb(Abramov) -0.1225544E+00 Hb(Abramov) -0.1713835E-01 Ex_ueg -0.2731318E-01 Ec_ueg -0.4386137E-02 Delta_ex -0.3321316E-01 Delta_ec 0.1043756E-01 Delta_et -0.1253301E+00 Pxc 0.6227161E+01 Qxc -0.3182081E+01 3,-1 128 3 -1 1.484614 -2.732914 2.061592 Rho 0.1074229E+00 |GRAD(Rho)| 0.4325174E-15 GRAD(Rho)x 0.4310991E-15 GRAD(Rho)y -0.1354575E-16 GRAD(Rho)z 0.3227026E-16 Laplacian 0.4304465E+00 (-1/4)Del**2(Rho)) -0.1076116E+00 Diamond 0.5759277E+00 Metallicity 0.3886170E+01 Ellipticity 0.2420625E-01 Gb(Abramov) 0.1414406E+00 Vb(Abramov) -0.1752696E+00 Hb(Abramov) -0.3382897E-01 Ex_ueg -0.3771499E-01 Ec_ueg -0.5776855E-02 Delta_ex -0.4253721E-01 Delta_ec 0.1159928E-01 Delta_et -0.1458081E+00 Pxc 0.6528637E+01 Qxc -0.3667227E+01 3,-1 129 3 +1 1.695354 -1.320207 1.755010 Rho 0.2366856E-01 |GRAD(Rho)| 0.6387276E-16 GRAD(Rho)x -0.5136060E-16 GRAD(Rho)y 0.3504129E-16 GRAD(Rho)z -0.1462619E-16 Laplacian 0.8657289E-01 (-1/4)Del**2(Rho)) -0.2164322E-01 Diamond 0.9427630E-02 Metallicity 0.1553046E+01 Ellipticity -0.2737834E+01 Gb(Abramov) 0.2003097E-01 Vb(Abramov) -0.1841872E-01 Hb(Abramov) 0.1612253E-02 Ex_ueg -0.5018966E-02 Ec_ueg -0.1021915E-02 Delta_ex -0.5180945E-02 Delta_ec 0.1245139E-02 Delta_et -0.1090464E-01 Pxc 0.4911335E+01 Qxc -0.4160937E+01 3,+1 130 3 +1 1.544369 1.399105 2.274141 Rho 0.5209480E-02 |GRAD(Rho)| 0.5029608E-15 GRAD(Rho)x 0.1100515E-15 GRAD(Rho)y -0.3977475E-15 GRAD(Rho)z 0.2874980E-15 Laplacian 0.1998203E-01 (-1/4)Del**2(Rho)) -0.4995508E-02 Diamond 0.4835397E-03 Metallicity 0.5398802E+00 Ellipticity -0.4104654E+01 Gb(Abramov) 0.3779835E-02 Vb(Abramov) -0.2564161E-02 Hb(Abramov) 0.1215673E-02 Ex_ueg -0.6669770E-03 Ec_ueg -0.1559387E-03 Delta_ex -0.9936042E-03 Delta_ec 0.6152843E-03 Delta_et -0.3388540E-02 Pxc 0.4277175E+01 Qxc -0.1614870E+01 3,+1 131 3 +3 1.666550 -1.657334 -0.025378 Rho 0.3532092E-02 |GRAD(Rho)| 0.1788941E-15 GRAD(Rho)x -0.9703863E-16 GRAD(Rho)y 0.9152974E-16 GRAD(Rho)z 0.1192011E-15 Laplacian 0.1408315E-01 (-1/4)Del**2(Rho)) -0.3520788E-02 Diamond 0.8825195E-04 Metallicity 0.4008359E+00 Ellipticity -0.1377885E+00 Gb(Abramov) 0.2582402E-02 Vb(Abramov) -0.1644015E-02 Hb(Abramov) 0.9383862E-03 Ex_ueg -0.3972779E-03 Ec_ueg -0.8430020E-04 Delta_ex -0.4822583E-03 Delta_ec 0.1333453E-03 Delta_et -0.7805650E-03 Pxc 0.4712657E+01 Qxc -0.3616613E+01 3,+3 132 3 +1 1.466377 -1.439085 2.981950 Rho 0.1155082E-01 |GRAD(Rho)| 0.1184530E-12 GRAD(Rho)x -0.7672883E-13 GRAD(Rho)y 0.7811567E-13 GRAD(Rho)z 0.4518564E-13 Laplacian 0.4793074E-01 (-1/4)Del**2(Rho)) -0.1198268E-01 Diamond 0.1372313E-02 Metallicity 0.8485686E+00 Ellipticity -0.1167423E+01 Gb(Abramov) 0.9683145E-02 Vb(Abramov) -0.7383605E-02 Hb(Abramov) 0.2299540E-02 Ex_ueg -0.1928422E-02 Ec_ueg -0.4388731E-03 Delta_ex -0.2195503E-02 Delta_ec 0.3776303E-03 Delta_et -0.2996885E-02 Pxc 0.4394031E+01 Qxc -0.5813895E+01 3,+1 133 3 +3 1.351412 -1.388194 -2.744227 Rho 0.1097553E-01 |GRAD(Rho)| 0.6110033E-17 GRAD(Rho)x -0.1971881E-17 GRAD(Rho)y -0.1898322E-17 GRAD(Rho)z -0.5462652E-17 Laplacian 0.4585968E-01 (-1/4)Del**2(Rho)) -0.1146492E-01 Diamond 0.8546364E-03 Metallicity 0.8144997E+00 Ellipticity -0.6865817E+00 Gb(Abramov) 0.9199643E-02 Vb(Abramov) -0.6934365E-02 Hb(Abramov) 0.2265278E-02 Ex_ueg -0.1801436E-02 Ec_ueg -0.4124846E-03 Delta_ex -0.1950852E-02 Delta_ec 0.1469539E-03 Delta_et -0.1438077E-02 Pxc 0.4367280E+01 Qxc -0.1327526E+02 3,+3 134 3 +3 1.348311 -1.328813 2.753830 Rho 0.1132672E-01 |GRAD(Rho)| 0.6060789E-14 GRAD(Rho)x 0.1554120E-14 GRAD(Rho)y -0.2019891E-14 GRAD(Rho)z -0.5498901E-14 Laplacian 0.4631904E-01 (-1/4)Del**2(Rho)) -0.1157976E-01 Diamond 0.8620378E-03 Metallicity 0.8498852E+00 Ellipticity -0.6804343E+00 Gb(Abramov) 0.9360084E-02 Vb(Abramov) -0.7140409E-02 Hb(Abramov) 0.2219676E-02 Ex_ueg -0.1878698E-02 Ec_ueg -0.4285777E-03 Delta_ex -0.1976307E-02 Delta_ec 0.1260515E-03 Delta_et -0.1307899E-02 Pxc 0.4383565E+01 Qxc -0.1567857E+02 3,+3 135 3 -1 1.510116 1.569187 2.163938 Rho 0.5224717E-02 |GRAD(Rho)| 0.1779417E-16 GRAD(Rho)x -0.2858640E-17 GRAD(Rho)y 0.1481318E-16 GRAD(Rho)z -0.9435596E-17 Laplacian 0.1994181E-01 (-1/4)Del**2(Rho)) -0.4985452E-02 Diamond 0.5408285E-03 Metallicity 0.5436090E+00 Ellipticity 0.7042644E+01 Gb(Abramov) 0.3775324E-02 Vb(Abramov) -0.2565196E-02 Hb(Abramov) 0.1210128E-02 Ex_ueg -0.6695794E-03 Ec_ueg -0.1565961E-03 Delta_ex -0.1041528E-02 Delta_ec 0.7021683E-03 Delta_et -0.3834167E-02 Pxc 0.4275838E+01 Qxc -0.1483302E+01 3,-1 136 3 -1 1.788944 -0.676682 1.611942 Rho 0.3122574E-01 |GRAD(Rho)| 0.3796557E-16 GRAD(Rho)x 0.3730926E-16 GRAD(Rho)y -0.6550940E-17 GRAD(Rho)z 0.2547346E-17 Laplacian 0.1239363E+00 (-1/4)Del**2(Rho)) -0.3098408E-01 Diamond 0.3484853E-01 Metallicity 0.1721614E+01 Ellipticity 0.5293993E-01 Gb(Abramov) 0.2954649E-01 Vb(Abramov) -0.2810890E-01 Hb(Abramov) 0.1437589E-02 Ex_ueg -0.7262209E-02 Ec_ueg -0.1407004E-02 Delta_ex -0.9219003E-02 Delta_ec 0.3952330E-02 Delta_et -0.3669899E-01 Pxc 0.5161470E+01 Qxc -0.2332549E+01 3,-1 137 3 +1 1.519433 -0.451458 2.314424 Rho 0.2064843E-01 |GRAD(Rho)| 0.1667243E-12 GRAD(Rho)x 0.1594109E-12 GRAD(Rho)y -0.1807533E-13 GRAD(Rho)z -0.4536986E-13 Laplacian 0.7064908E-01 (-1/4)Del**2(Rho)) -0.1766227E-01 Diamond 0.6345097E-02 Metallicity 0.1515834E+01 Ellipticity -0.2833188E+01 Gb(Abramov) 0.1623703E-01 Vb(Abramov) -0.1481178E-01 Hb(Abramov) 0.1425244E-02 Ex_ueg -0.4183770E-02 Ec_ueg -0.8722195E-03 Delta_ex -0.4070338E-02 Delta_ec 0.1009215E-02 Delta_et -0.8562874E-02 Pxc 0.4796694E+01 Qxc -0.4033173E+01 3,+1 138 3 -1 1.904995 3.140301 -0.729791 Rho 0.1103409E+00 |GRAD(Rho)| 0.2313576E-13 GRAD(Rho)x 0.1390583E-13 GRAD(Rho)y -0.1077698E-13 GRAD(Rho)z 0.1502491E-13 Laplacian 0.4527767E+00 (-1/4)Del**2(Rho)) -0.1131942E+00 Diamond 0.6513976E+00 Metallicity 0.3863284E+01 Ellipticity 0.4009756E-02 Gb(Abramov) 0.1483463E+00 Vb(Abramov) -0.1834985E+00 Hb(Abramov) -0.3515216E-01 Ex_ueg -0.3908713E-01 Ec_ueg -0.5955616E-02 Delta_ex -0.4541422E-01 Delta_ec 0.1281539E-01 Delta_et -0.1629034E+00 Pxc 0.6563071E+01 Qxc -0.3543725E+01 3,-1 139 3 -1 1.845041 3.126074 0.717950 Rho 0.1178622E+00 |GRAD(Rho)| 0.1082364E-13 GRAD(Rho)x -0.5019612E-14 GRAD(Rho)y 0.4111972E-14 GRAD(Rho)z 0.8662924E-14 Laplacian 0.4800939E+00 (-1/4)Del**2(Rho)) -0.1200235E+00 Diamond 0.7464397E+00 Metallicity 0.4066723E+01 Ellipticity 0.1309345E-01 Gb(Abramov) 0.1613660E+00 Vb(Abramov) -0.2027086E+00 Hb(Abramov) -0.4134256E-01 Ex_ueg -0.4267936E-01 Ec_ueg -0.6419247E-02 Delta_ex -0.4888781E-01 Delta_ec 0.1335540E-01 Delta_et -0.1718347E+00 Pxc 0.6648655E+01 Qxc -0.3660528E+01 3,-1 140 3 -1 2.496297 -0.336964 -2.791768 Rho 0.1224076E+00 |GRAD(Rho)| 0.6648224E-12 GRAD(Rho)x -0.6641214E-12 GRAD(Rho)y -0.1600329E-13 GRAD(Rho)z -0.2599185E-13 Laplacian 0.4978694E+00 (-1/4)Del**2(Rho)) -0.1244673E+00 Diamond 0.8124865E+00 Metallicity 0.4176816E+01 Ellipticity 0.1994625E-01 Gb(Abramov) 0.1696244E+00 Vb(Abramov) -0.2147815E+00 Hb(Abramov) -0.4515708E-01 Ex_ueg -0.4488795E-01 Ec_ueg -0.6701384E-02 Delta_ex -0.5118490E-01 Delta_ec 0.1378519E-01 Delta_et -0.1786709E+00 Pxc 0.6698310E+01 Qxc -0.3713036E+01 3,-1 141 3 +1 3.084457 0.531894 0.022791 Rho 0.1111081E-01 |GRAD(Rho)| 0.9418084E-15 GRAD(Rho)x 0.1549972E-15 GRAD(Rho)y -0.6811735E-15 GRAD(Rho)z 0.6316499E-15 Laplacian 0.4942740E-01 (-1/4)Del**2(Rho)) -0.1235685E-01 Diamond 0.1630650E-02 Metallicity 0.7712964E+00 Ellipticity -0.1254414E+01 Gb(Abramov) 0.9826366E-02 Vb(Abramov) -0.7295882E-02 Hb(Abramov) 0.2530485E-02 Ex_ueg -0.1831102E-02 Ec_ueg -0.4186779E-03 Delta_ex -0.2332343E-02 Delta_ec 0.5549102E-03 Delta_et -0.4152209E-02 Pxc 0.4373534E+01 Qxc -0.4203101E+01 3,+1 142 3 -1 3.270475 3.210398 0.038655 Rho 0.1858359E+00 |GRAD(Rho)| 0.9018921E-15 GRAD(Rho)x -0.4794342E-15 GRAD(Rho)y -0.7048398E-15 GRAD(Rho)z 0.2945388E-15 Laplacian 0.7039318E+00 (-1/4)Del**2(Rho)) -0.1759829E+00 Diamond 0.1851077E+01 Metallicity 0.5924233E+01 Ellipticity 0.3216741E-02 Gb(Abramov) 0.2910826E+00 Vb(Abramov) -0.4061823E+00 Hb(Abramov) -0.1150997E+00 Ex_ueg -0.7832336E-01 Ec_ueg -0.1077579E-01 Delta_ex -0.7978714E-01 Delta_ec 0.1698401E-01 Delta_et -0.2322029E+00 Pxc 0.7268458E+01 Qxc -0.4697779E+01 3,-1 143 3 -1 2.708361 -1.587645 2.054970 Rho 0.1319748E+00 |GRAD(Rho)| 0.1971371E-14 GRAD(Rho)x -0.5132749E-15 GRAD(Rho)y -0.1902179E-14 GRAD(Rho)z 0.6759323E-16 Laplacian 0.5307358E+00 (-1/4)Del**2(Rho)) -0.1326839E+00 Diamond 0.9426812E+00 Metallicity 0.4441739E+01 Ellipticity 0.2213438E-01 Gb(Abramov) 0.1866805E+00 Vb(Abramov) -0.2406771E+00 Hb(Abramov) -0.5399660E-01 Ex_ueg -0.4962567E-01 Ec_ueg -0.7299829E-02 Delta_ex -0.5548694E-01 Delta_ec 0.1432494E-01 Delta_et -0.1878955E+00 Pxc 0.6798195E+01 Qxc -0.3873449E+01 3,-1 144 3 -1 2.741678 -1.598027 -2.054069 Rho 0.1467432E+00 |GRAD(Rho)| 0.1893879E-15 GRAD(Rho)x -0.8214187E-16 GRAD(Rho)y -0.1647987E-15 GRAD(Rho)z -0.4429305E-16 Laplacian 0.5832068E+00 (-1/4)Del**2(Rho)) -0.1458017E+00 Diamond 0.1170399E+01 Metallicity 0.4823777E+01 Ellipticity 0.1579386E-01 Gb(Abramov) 0.2144203E+00 Vb(Abramov) -0.2830388E+00 Hb(Abramov) -0.6861858E-01 Ex_ueg -0.5716484E-01 Ec_ueg -0.8235359E-02 Delta_ex -0.6249215E-01 Delta_ec 0.1523110E-01 Delta_et -0.2029184E+00 Pxc 0.6941391E+01 Qxc -0.4102931E+01 3,-1 145 3 -1 3.238987 -0.814732 -0.906207 Rho 0.1182181E+00 |GRAD(Rho)| 0.1817330E-15 GRAD(Rho)x -0.2199236E-16 GRAD(Rho)y 0.3168920E-16 GRAD(Rho)z -0.1775923E-15 Laplacian 0.4989957E+00 (-1/4)Del**2(Rho)) -0.1247489E+00 Diamond 0.7841391E+00 Metallicity 0.3932386E+01 Ellipticity 0.1938577E-01 Gb(Abramov) 0.1649261E+00 Vb(Abramov) -0.2051033E+00 Hb(Abramov) -0.4017718E-01 Ex_ueg -0.4285126E-01 Ec_ueg -0.6441283E-02 Delta_ex -0.5092392E-01 Delta_ec 0.1400584E-01 Delta_et -0.1805113E+00 Pxc 0.6652597E+01 Qxc -0.3635906E+01 3,-1 146 3 -1 3.251882 -0.813028 0.884418 Rho 0.1348823E+00 |GRAD(Rho)| 0.5398883E-13 GRAD(Rho)x -0.5901861E-14 GRAD(Rho)y 0.7212160E-14 GRAD(Rho)z 0.5317844E-13 Laplacian 0.5703562E+00 (-1/4)Del**2(Rho)) -0.1425891E+00 Diamond 0.1040422E+01 Metallicity 0.4286062E+01 Ellipticity 0.1253186E-01 Gb(Abramov) 0.1969170E+00 Vb(Abramov) -0.2512449E+00 Hb(Abramov) -0.5432790E-01 Ex_ueg -0.5108870E-01 Ec_ueg -0.7482903E-02 Delta_ex -0.5994792E-01 Delta_ec 0.1532509E-01 Delta_et -0.2017567E+00 Pxc 0.6827391E+01 Qxc -0.3911750E+01 3,-1 147 3 -1 2.988395 0.396256 -1.611264 Rho 0.1139149E+00 |GRAD(Rho)| 0.2356874E-14 GRAD(Rho)x -0.2927922E-15 GRAD(Rho)y 0.2189492E-14 GRAD(Rho)z 0.8217372E-15 Laplacian 0.4858059E+00 (-1/4)Del**2(Rho)) -0.1214515E+00 Diamond 0.7266119E+00 Metallicity 0.3797095E+01 Ellipticity 0.1815644E-01 Gb(Abramov) 0.1578281E+00 Vb(Abramov) -0.1942048E+00 Hb(Abramov) -0.3637664E-01 Ex_ueg -0.4078426E-01 Ec_ueg -0.6175418E-02 Delta_ex -0.4909752E-01 Delta_ec 0.1366108E-01 Delta_et -0.1747223E+00 Pxc 0.6604292E+01 Qxc -0.3593969E+01 3,-1 148 3 -1 3.013297 0.401764 1.621399 Rho 0.1208830E+00 |GRAD(Rho)| 0.2793519E-15 GRAD(Rho)x 0.5582964E-16 GRAD(Rho)y -0.2733545E-15 GRAD(Rho)z 0.1406752E-16 Laplacian 0.5089652E+00 (-1/4)Del**2(Rho)) -0.1272413E+00 Diamond 0.8175484E+00 Metallicity 0.4001294E+01 Ellipticity 0.2288150E-01 Gb(Abramov) 0.1696825E+00 Vb(Abramov) -0.2121237E+00 Hb(Abramov) -0.4244121E-01 Ex_ueg -0.4414403E-01 Ec_ueg -0.6606588E-02 Delta_ex -0.5216227E-01 Delta_ec 0.1411841E-01 Delta_et -0.1825549E+00 Pxc 0.6681820E+01 Qxc -0.3694627E+01 3,-1 149 3 -1 3.958138 -0.645367 -2.309147 Rho 0.1843234E+00 |GRAD(Rho)| 0.2354341E-14 GRAD(Rho)x 0.8237226E-15 GRAD(Rho)y 0.2200732E-14 GRAD(Rho)z 0.1455270E-15 Laplacian 0.6975317E+00 (-1/4)Del**2(Rho)) -0.1743829E+00 Diamond 0.1818463E+01 Metallicity 0.5897706E+01 Ellipticity 0.3137157E-02 Gb(Abramov) 0.2876652E+00 Vb(Abramov) -0.4009474E+00 Hb(Abramov) -0.1132822E+00 Ex_ueg -0.7747452E-01 Ec_ueg -0.1067584E-01 Delta_ex -0.7891499E-01 Delta_ec 0.1689494E-01 Delta_et -0.2308830E+00 Pxc 0.7256997E+01 Qxc -0.4670925E+01 3,-1 150 3 -1 3.984104 -0.687725 2.259979 Rho 0.1867291E+00 |GRAD(Rho)| 0.3342869E-14 GRAD(Rho)x 0.1204278E-14 GRAD(Rho)y 0.4782551E-15 GRAD(Rho)z 0.3081519E-14 Laplacian 0.7044973E+00 (-1/4)Del**2(Rho)) -0.1761243E+00 Diamond 0.1864460E+01 Metallicity 0.5966972E+01 Ellipticity 0.2850247E-02 Gb(Abramov) 0.2925710E+00 Vb(Abramov) -0.4090177E+00 Hb(Abramov) -0.1164467E+00 Ex_ueg -0.7882570E-01 Ec_ueg -0.1083487E-01 Delta_ex -0.7995688E-01 Delta_ec 0.1699189E-01 Delta_et -0.2324712E+00 Pxc 0.7275186E+01 Qxc -0.4705591E+01 3,-1 151 3 -1 -1.977801 0.530096 2.729359 Rho 0.3151144E+00 |GRAD(Rho)| 0.2291608E-13 GRAD(Rho)x 0.9224877E-14 GRAD(Rho)y -0.1270069E-13 GRAD(Rho)z -0.1669553E-13 Laplacian -0.1540845E+01 (-1/4)Del**2(Rho)) 0.3852112E+00 Diamond 0.5359004E+01 Metallicity -0.6525814E+01 Ellipticity 0.3774852E-02 Gb(Abramov) 0.1621620E+00 Vb(Abramov) -0.7095352E+00 Hb(Abramov) -0.5473732E+00 Ex_ueg -0.1583712E+00 Ec_ueg -0.1978639E-01 Delta_ex 0.1522484E+00 Delta_ec 0.5423932E-01 Delta_et -0.1277682E+01 Pxc 0.8004045E+01 Qxc 0.2806975E+01 3,-1 152 3 -1 -0.019849 0.037554 -4.662463 Rho 0.2084984E+00 |GRAD(Rho)| 0.9549601E-13 GRAD(Rho)x 0.4598789E-14 GRAD(Rho)y -0.1408266E-13 GRAD(Rho)z 0.9433990E-13 Laplacian 0.7710257E+00 (-1/4)Del**2(Rho)) -0.1927564E+00 Diamond 0.2318306E+01 Metallicity 0.6552126E+01 Ellipticity 0.1163791E-01 Gb(Abramov) 0.3389983E+00 Vb(Abramov) -0.4852403E+00 Hb(Abramov) -0.1462419E+00 Ex_ueg -0.9131078E-01 Ec_ueg -0.1228875E-01 Delta_ex -0.8992397E-01 Delta_ec 0.1791895E-01 Delta_et -0.2470704E+00 Pxc 0.7430440E+01 Qxc -0.5018373E+01 3,-1 153 3 -1 0.051552 0.042617 4.676493 Rho 0.1891131E+00 |GRAD(Rho)| 0.8019197E-14 GRAD(Rho)x 0.2033455E-14 GRAD(Rho)y -0.1080597E-14 GRAD(Rho)z -0.7681464E-14 Laplacian 0.7223385E+00 (-1/4)Del**2(Rho)) -0.1805846E+00 Diamond 0.1936418E+01 Metallicity 0.5943951E+01 Ellipticity 0.8663498E-02 Gb(Abramov) 0.2992875E+00 Vb(Abramov) -0.4179903E+00 Hb(Abramov) -0.1187028E+00 Ex_ueg -0.8017039E-01 Ec_ueg -0.1099279E-01 Delta_ex -0.8221137E-01 Delta_ec 0.1730316E-01 Delta_et -0.2368334E+00 Pxc 0.7292998E+01 Qxc -0.4751234E+01 3,-1 154 3 -1 2.721268 1.917191 -0.696013 Rho 0.1374820E+00 |GRAD(Rho)| 0.4004890E-15 GRAD(Rho)x -0.1035006E-15 GRAD(Rho)y 0.1431147E-15 GRAD(Rho)z 0.3594401E-15 Laplacian 0.5738760E+00 (-1/4)Del**2(Rho)) -0.1434690E+00 Diamond 0.1069835E+01 Metallicity 0.4397491E+01 Ellipticity 0.1567411E-01 Gb(Abramov) 0.2007966E+00 Vb(Abramov) -0.2581242E+00 Hb(Abramov) -0.5732760E-01 Ex_ueg -0.5240583E-01 Ec_ueg -0.7647064E-02 Delta_ex -0.6058151E-01 Delta_ec 0.1532377E-01 Delta_et -0.2023129E+00 Pxc 0.6853065E+01 Qxc -0.3953434E+01 3,-1 155 3 -1 2.734892 1.920592 0.746584 Rho 0.1333414E+00 |GRAD(Rho)| 0.7547231E-12 GRAD(Rho)x 0.8400446E-14 GRAD(Rho)y -0.5371943E-12 GRAD(Rho)z 0.5300554E-12 Laplacian 0.5618897E+00 (-1/4)Del**2(Rho)) -0.1404724E+00 Diamond 0.1013436E+01 Metallicity 0.4268127E+01 Ellipticity 0.1465728E-01 Gb(Abramov) 0.1935740E+00 Vb(Abramov) -0.2466755E+00 Hb(Abramov) -0.5310155E-01 Ex_ueg -0.5031204E-01 Ec_ueg -0.7385814E-02 Delta_ex -0.5892434E-01 Delta_ec 0.1519106E-01 Delta_et -0.1997133E+00 Pxc 0.6811983E+01 Qxc -0.3878882E+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 91 118 84 127 106 116 152 101 69 104 71 115 72 136 146 148 143 126 150 109 86 76 121 97 142 74 154 155 138 139 153 108 78 85 99 124 93 83 119 94 128 117 95 147 145 140 144 149 100 102 67 73 113 70 110 55 81 48 50 62 80 88 82 151 52 51 135 59 1 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 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 14 14 14 15 16 19 21 23 25 28 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 17 19 21 23 28 36 36 36 45 46 45 27 46 2.407740 2.050398 1.840390 2.153800 2.060455 1.854500 1.797147 2.410620 1.820313 1.925281 1.991157 2.004370 1.797613 2.563439 1.955302 1.999284 1.973765 2.038358 1.839273 2.443319 1.955506 1.822721 2.011064 1.939290 1.841018 2.528789 1.949725 1.960181 2.042278 2.017630 1.834163 2.444339 2.046925 2.041722 1.976055 1.962972 2.381232 1.790949 1.901771 2.024965 2.061768 1.801277 2.551349 2.022203 2.007137 2.001172 1.933685 1.844142 2.432867 2.006021 2.050617 1.835287 1.963607 2.009812 1.760145 3.333925 3.264773 3.215741 3.169682 3.268384 1.651640 1.764624 1.767701 1.000226 1.000196 1.770933 3.325338 1.775561 2.409902 2.050575 1.840408 2.154038 2.060634 1.854508 1.797166 2.412088 1.820513 1.925574 1.991545 2.004724 1.797631 2.565319 1.955504 1.999447 1.974029 2.038560 1.839275 2.444879 1.955784 1.822915 2.011444 1.939698 1.841019 2.530750 1.949925 1.960365 2.042468 2.017859 1.834165 2.446402 2.047354 2.042015 1.976345 1.963179 2.382885 1.791069 1.902055 2.025364 2.062104 1.801299 2.553311 2.022380 2.007286 2.001381 1.933900 1.844145 2.434827 2.006412 2.050978 1.835292 1.963805 2.010092 1.760164 3.390314 3.337017 3.255815 3.189204 3.296642 1.651643 1.764632 1.767710 1.000272 1.000242 1.775026 3.326427 1.779486 31 25 25 29 27 24 23 29 26 25 26 28 26 32 24 25 24 27 23 29 27 25 26 25 23 33 24 25 27 27 22 29 27 28 25 30 30 26 26 27 27 25 29 25 25 26 24 22 28 28 29 25 25 28 25 37 37 37 36 37 25 26 26 18 20 26 35 25 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 Ta O W Ta W Ta Ta O O W Ta Ta O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O H H 1.9501 -0.9644 2.2621 2.0552 2.2457 2.0705 2.0647 -1.0469 -1.0283 2.2583 2.0342 2.0688 -1.0815 -0.9572 -1.0824 -1.0827 -0.9076 -1.0133 -0.9326 -1.0315 -0.9358 -1.0370 -0.9454 -1.0038 -1.0072 -1.0221 -1.0334 -0.9484 -1.0613 -1.0289 -1.0661 -1.0558 -1.0655 -1.0550 -1.0663 2.2028 -0.9698 -1.0647 -1.0456 -1.0625 -1.0579 -1.0529 -0.9627 -1.0444 0.2545 0.2540 2.1755 1.9365 2.1628 2.1529 2.1665 2.1452 2.1526 1.9247 1.9258 2.1706 2.1580 2.1522 1.9336 1.9424 1.9314 1.9318 1.9391 1.9203 1.8605 1.9180 1.8605 1.9171 1.9393 1.9239 1.9219 1.9232 1.9178 1.9387 1.9229 1.9255 1.9212 1.9237 1.9213 1.9245 1.9230 0.9097 1.9354 1.9208 1.9248 1.9238 1.9215 1.9240 1.9366 1.9253 0.5918 0.5927 6.1092 5.0013 6.1300 6.1048 6.1333 6.0985 6.1029 5.1011 5.0809 6.1237 6.1060 6.1020 5.1174 4.9848 5.1207 5.1208 4.9409 5.0678 5.0469 5.0906 5.0500 5.0966 4.9782 5.0544 5.0597 5.0777 5.0921 4.9820 5.1147 5.0820 5.1210 5.1071 5.1225 5.1060 5.1205 1.3510 5.0082 5.1199 5.0949 5.1154 5.1164 5.1081 4.9996 5.0979 0.1537 0.1533 2.7313 0.0266 3.4153 2.6520 3.4248 2.6506 2.6451 0.0211 0.0216 3.4179 2.6667 2.6422 0.0305 0.0299 0.0304 0.0301 0.0276 0.0252 0.0252 0.0230 0.0253 0.0232 0.0280 0.0255 0.0256 0.0212 0.0235 0.0276 0.0237 0.0215 0.0239 0.0250 0.0218 0.0245 0.0229 10.5366 0.0262 0.0240 0.0258 0.0234 0.0200 0.0208 0.0265 0.0212 0.0000 0.0000 14.0339 0.0000 14.0298 14.0351 14.0297 14.0353 14.0347 0.0000 0.0000 14.0295 14.0351 14.0348 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 Ta O W Ta W Ta Ta O O W Ta Ta O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O H H 2.328629 -1.055734 2.470356 2.342318 2.468245 2.343888 2.353762 -1.182527 -1.159343 2.469791 2.341141 2.355288 -1.093216 -1.046527 -1.097108 -1.095980 -0.997546 -1.062408 -0.788932 -1.106988 -0.791022 -1.110155 -0.951620 -1.057768 -1.055781 -1.140483 -1.103920 -0.959619 -1.115474 -1.162097 -1.127307 -1.096082 -1.148814 -1.094892 -1.123832 2.276440 -1.061235 -1.125786 -1.093675 -1.114740 -1.206629 -1.192352 -1.054632 -1.178308 0.001929 0.000746 1.867267 -1.013989 1.919719 1.816252 1.923912 1.812570 1.870062 -1.172113 -1.128950 1.948414 1.814299 1.865938 -0.661845 -0.878580 -0.665860 -0.664698 -0.920333 -0.799013 -1.031265 -0.849953 -1.035806 -0.858217 -0.880575 -0.781456 -0.804211 -1.100602 -0.850266 -0.891600 -0.948691 -1.133203 -0.976084 -0.913252 -1.009196 -0.910513 -0.965251 1.817814 -1.022318 -0.972785 -0.932326 -0.947894 -1.193726 -1.184331 -1.012660 -1.166977 0.313542 0.308751 1.986387 -0.978446 2.043986 1.956165 2.051060 1.945038 1.984311 -1.133567 -1.105923 2.063060 1.955451 1.996261 -0.766227 -0.817262 -0.791157 -0.773241 -0.912293 -0.906809 -1.033269 -0.948472 -1.016739 -0.969686 -0.934987 -0.890084 -0.900306 -1.107851 -0.944476 -0.932920 -0.990889 -1.114376 -1.014391 -0.980226 -1.039916 -0.970442 -1.015544 1.743147 -0.988959 -1.012523 -0.990975 -0.996115 -1.173292 -1.145795 -0.975778 -1.126831 0.354733 0.320168 -48.90091768 -1.34261020 3.14218376 49.02015576 121.79664094 30.75470856 1.23558924 -61.69425161 -8.69442140 -60.10238933 -287.2530 356.8687 122.1335 -399.0615 -208.5642 -415.8765 Jun20-2024 08:34:23 Nodes: 1 Procs: 1 Jun20-2024 08:34:25 Nodes: 1 Procs: 1 0 Jun20-2024 08:34:28 Nodes: 1 Procs: 1 Jun20-2024 08:34:29 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 08:34:32 Nodes: 1 Procs: 1 Jun20-2024 08:34:35 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 08:34:39 Nodes: 1 Procs: 1 Jun20-2024 08:34:42 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 08:34:46 Nodes: 1 Procs: 1 Jun20-2024 08:34:47 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 08:34:51 Nodes: 1 Procs: 5 *** (NO TITLE) *** -13 -14.81508675 -15.03607977 -15.15907066 -15.21353441 -15.24203350 -15.25258641 -15.25831883 -15.27117017 -15.27521485 -15.28061041 -15.28178172 -15.28245566 -15.28262161 -15.28269606 -15.28285620 -15.28299908 -15.28308718 -15.28307474 -15.28300111 -15.28301418 -15.28308172 -15.28312460 -15.28318011 GEOMETRY CONVERGED