ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 02:06:24 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.55 0.03 0.92 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 Jun21-2024 02:06:24 Nodes: 1 Procs: 1 Jun21-2024 02:06:26 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 02:06:29 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.02 0.04 2.24 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun21-2024 02:06:24 Nodes: 1 Procs: 1 Jun21-2024 02:06:26 Nodes: 1 Procs: 1 0 Jun21-2024 02:06:29 Nodes: 1 Procs: 1 Jun21-2024 02:06:31 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 02:06:35 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.06 2.68 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun21-2024 02:06:24 Nodes: 1 Procs: 1 Jun21-2024 02:06:26 Nodes: 1 Procs: 1 0 Jun21-2024 02:06:29 Nodes: 1 Procs: 1 Jun21-2024 02:06:31 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 02:06:35 Nodes: 1 Procs: 1 Jun21-2024 02:06:38 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 02:06:41 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.06 2.24 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun21-2024 02:06:24 Nodes: 1 Procs: 1 Jun21-2024 02:06:26 Nodes: 1 Procs: 1 0 Jun21-2024 02:06:29 Nodes: 1 Procs: 1 Jun21-2024 02:06:31 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 02:06:35 Nodes: 1 Procs: 1 Jun21-2024 02:06:38 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 02:06:41 Nodes: 1 Procs: 1 Jun21-2024 02:06:44 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 02:06:47 Hydrogen (TZP) c10-60 c10-60 c10-60 c10-60 c10-60 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.68 0.05 1.72 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun21-2024 02:06:24 Nodes: 1 Procs: 1 Jun21-2024 02:06:26 Nodes: 1 Procs: 1 0 Jun21-2024 02:06:29 Nodes: 1 Procs: 1 Jun21-2024 02:06:31 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 02:06:35 Nodes: 1 Procs: 1 Jun21-2024 02:06:38 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 02:06:41 Nodes: 1 Procs: 1 Jun21-2024 02:06:44 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun21-2024 02:06:47 Nodes: 1 Procs: 1 Jun21-2024 02:06:49 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 02:06:53 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2205.218299999999 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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 Jun21-2024 02:06:38 1 1 Tantalum TZP 4d t21.O ADF 2019.304 Jun21-2024 02:06:49 1 1 Oxygen TZP 1s t21.W ADF 2019.304 Jun21-2024 02:06:44 1 1 Tungsten TZP 4d t21.As ADF 2019.304 Jun21-2024 02:06:31 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun21-2024 02:06:26 1 1 Hydrogen TZP 1 1 -13.56890455 0.24788285 0.00100000 F 0.08885474 0.00066667 F 0.24788285 0.08885474 0.14772901 0.01000000 F 0.04258469 0.00666667 F Cartesian 2205.218299999999 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3,-3 4 3 -3 2.167158 -2.775520 -0.082209 Rho 0.3882647E+07 3,-3 5 3 -3 2.367537 2.821913 -0.106903 Rho 0.3882647E+07 3,-3 6 3 -3 -2.550989 -0.011081 2.439317 Rho 0.3882646E+07 3,-3 7 3 -3 2.744165 0.336216 -2.410083 Rho 0.3882648E+07 3,-3 8 3 -3 3.660247 -3.813277 -0.153618 Rho 0.3190325E+03 3,-3 9 3 -3 3.547158 4.160398 0.187690 Rho 0.3190614E+03 3,-3 10 3 -3 -3.669477 4.161096 0.073236 Rho 0.3192012E+03 3,-3 11 3 -3 1.024330 -0.996526 1.019159 Rho 0.3190197E+03 3,-3 12 3 -3 -1.104143 -1.121493 -0.823690 Rho 0.3192045E+03 3,-3 13 3 -3 0.890720 0.951235 -0.987454 Rho 0.3189929E+03 3,-3 14 3 -3 -0.940702 0.975838 1.060725 Rho 0.3189789E+03 3,-3 15 3 -3 -3.155130 -1.102699 0.878203 Rho 0.3186671E+03 3,-3 16 3 -3 2.570290 -1.305821 -1.418860 Rho 0.3187538E+03 3,-3 17 3 -3 4.151042 0.329524 3.576684 Rho 0.3191757E+03 3,-3 18 3 -3 3.062646 1.275230 1.178184 Rho 0.3189019E+03 3,-3 19 3 -3 0.287952 3.540999 4.171482 Rho 0.3190754E+03 3,-3 20 3 -3 1.317520 1.034620 3.180405 Rho 0.3188442E+03 3,-3 21 3 -3 -1.381641 1.022912 -3.251198 Rho 0.3190595E+03 3,-3 22 3 -3 -1.233902 -1.414776 2.888699 Rho 0.3187592E+03 3,-3 23 3 -3 -1.524042 2.754085 -1.101020 Rho 0.3188775E+03 3,-3 24 3 -3 -0.391995 3.607171 -3.864467 Rho 0.3190348E+03 3,-3 25 3 -3 1.109605 3.120852 1.359317 Rho 0.3187994E+03 3,-3 26 3 -3 1.036246 -3.669961 -1.177750 Rho 0.3190543E+03 3,-3 27 3 -3 3.501096 -1.462847 1.496721 Rho 0.3190843E+03 3,-3 28 3 -3 3.993348 -0.102161 -3.646650 Rho 0.3190621E+03 3,-3 29 3 -3 3.564686 1.711941 -1.417128 Rho 0.3188855E+03 3,-3 30 3 -3 -3.469650 1.601594 1.248321 Rho 0.3189821E+03 3,-3 31 3 -3 1.887830 -1.422817 3.683180 Rho 0.3189185E+03 3,-3 32 3 -3 1.435474 1.247952 -3.511948 Rho 0.3188310E+03 3,-3 33 3 -3 -1.611371 1.407806 3.468639 Rho 0.3188487E+03 3,-3 34 3 -3 -3.940522 -0.321871 3.540520 Rho 0.3190943E+03 3,-3 35 3 -3 -1.483926 3.666865 1.786592 Rho 0.3190404E+03 3,-3 36 3 -3 1.233105 -3.510440 1.624607 Rho 0.3188495E+03 3,-3 37 3 -3 1.283016 3.462347 -1.516569 Rho 0.3189110E+03 3,-3 38 3 -3 0.087723 -3.607720 4.270022 Rho 0.3190792E+03 3,-3 39 3 -3 -2.467497 2.930222 0.458863 Rho 0.4361417E+07 3,-3 40 3 -3 2.851026 -0.050069 2.440863 Rho 0.4361415E+07 3,-3 41 3 -3 -0.069575 -0.097389 -0.001357 Rho 0.4276094E+05 3,-3 42 3 -3 -2.439622 -1.145206 0.168062 Rho 0.4318512E+00 3,-3 43 3 -1 -3.116204 3.594477 0.250937 Rho 0.2276111E+00 |GRAD(Rho)| 0.7802944E-14 GRAD(Rho)x 0.5199237E-14 GRAD(Rho)y -0.5583858E-14 GRAD(Rho)z 0.1635356E-14 Laplacian 0.8369932E+00 (-1/4)Del**2(Rho)) -0.2092483E+00 Diamond 0.2768857E+01 Metallicity 0.6985758E+01 Ellipticity 0.7104885E-02 Gb(Abramov) 0.3831252E+00 Vb(Abramov) -0.5570021E+00 Hb(Abramov) -0.1738769E+00 Ex_ueg -0.1026383E+00 Ec_ueg -0.1358691E-01 Delta_ex -0.9969151E-01 Delta_ec 0.1869296E-01 Delta_et -0.2580119E+00 Pxc 0.7554208E+01 Qxc -0.5333104E+01 3,-1 44 3 -1 -3.014359 0.836915 1.816312 Rho 0.7201585E-01 |GRAD(Rho)| 0.9313023E-13 GRAD(Rho)x 0.3092138E-14 GRAD(Rho)y -0.7081443E-13 GRAD(Rho)z 0.6040691E-13 Laplacian 0.2967596E+00 (-1/4)Del**2(Rho)) -0.7418991E-01 Diamond 0.2574418E+00 Metallicity 0.2894599E+01 Ellipticity 0.1101398E-01 Gb(Abramov) 0.8525161E-01 Vb(Abramov) -0.9631332E-01 Hb(Abramov) -0.1106171E-01 Ex_ueg -0.2212870E-01 Ec_ueg -0.3663839E-02 Delta_ex -0.2708526E-01 Delta_ec 0.9309145E-02 Delta_et -0.1079807E+00 Pxc 0.6039756E+01 Qxc -0.2909532E+01 3,-1 45 3 -1 -2.995100 2.212123 0.884517 Rho 0.1857392E+00 |GRAD(Rho)| 0.1081672E-13 GRAD(Rho)x 0.5225638E-14 GRAD(Rho)y 0.8411728E-14 GRAD(Rho)z -0.4351662E-14 Laplacian 0.7007357E+00 (-1/4)Del**2(Rho)) -0.1751839E+00 Diamond 0.1828377E+01 Metallicity 0.5946089E+01 Ellipticity 0.4435634E-01 Gb(Abramov) 0.2903991E+00 Vb(Abramov) -0.4056143E+00 Hb(Abramov) -0.1152152E+00 Ex_ueg -0.7826898E-01 Ec_ueg -0.1076939E-01 Delta_ex -0.7931597E-01 Delta_ec 0.1673344E-01 Delta_et -0.2282201E+00 Pxc 0.7267727E+01 Qxc -0.4739967E+01 3,-1 46 3 +1 -1.743386 -0.349076 0.643170 Rho 0.1186712E-01 |GRAD(Rho)| 0.1275182E-16 GRAD(Rho)x 0.2704550E-18 GRAD(Rho)y 0.1198341E-16 GRAD(Rho)z -0.4351304E-17 Laplacian 0.4516022E-01 (-1/4)Del**2(Rho)) -0.1129005E-01 Diamond 0.1687402E-02 Metallicity 0.9421046E+00 Ellipticity -0.1491050E+01 Gb(Abramov) 0.9299439E-02 Vb(Abramov) -0.7308822E-02 Hb(Abramov) 0.1990616E-02 Ex_ueg -0.1999150E-02 Ec_ueg -0.4534381E-03 Delta_ex -0.2185525E-02 Delta_ec 0.5365605E-03 Delta_et -0.4050716E-02 Pxc 0.4408870E+01 Qxc -0.4073212E+01 3,+1 47 3 -1 -2.850490 -0.581483 1.602055 Rho 0.1257623E+00 |GRAD(Rho)| 0.2118865E-13 GRAD(Rho)x -0.1172787E-13 GRAD(Rho)y 0.1369185E-14 GRAD(Rho)z 0.1759378E-13 Laplacian 0.4945790E+00 (-1/4)Del**2(Rho)) -0.1236448E+00 Diamond 0.8388926E+00 Metallicity 0.4398402E+01 Ellipticity 0.7014109E-01 Gb(Abramov) 0.1730697E+00 Vb(Abramov) -0.2224947E+00 Hb(Abramov) -0.4942498E-01 Ex_ueg -0.4653564E-01 Ec_ueg -0.6910523E-02 Delta_ex -0.5123857E-01 Delta_ec 0.1372357E-01 Delta_et -0.1789207E+00 Pxc 0.6734025E+01 Qxc -0.3733619E+01 3,-1 48 3 +1 -2.220770 1.088375 1.341779 Rho 0.2518808E-01 |GRAD(Rho)| 0.1024471E-12 GRAD(Rho)x -0.9960478E-13 GRAD(Rho)y -0.2343222E-13 GRAD(Rho)z -0.5022826E-14 Laplacian 0.9441960E-01 (-1/4)Del**2(Rho)) -0.2360490E-01 Diamond 0.1147495E-01 Metallicity 0.1579584E+01 Ellipticity -0.2980554E+01 Gb(Abramov) 0.2195092E-01 Vb(Abramov) -0.2029694E-01 Hb(Abramov) 0.1653979E-02 Ex_ueg -0.5453121E-02 Ec_ueg -0.1098188E-02 Delta_ex -0.5776399E-02 Delta_ec 0.1409835E-02 Delta_et -0.1251130E-01 Pxc 0.4965561E+01 Qxc -0.4097216E+01 3,+1 49 3 -1 -2.599911 -1.134565 0.328297 Rho 0.3067037E+00 |GRAD(Rho)| 0.1396945E-12 GRAD(Rho)x -0.8265524E-13 GRAD(Rho)y 0.5329050E-13 GRAD(Rho)z 0.9921087E-13 Laplacian -0.1484370E+01 (-1/4)Del**2(Rho)) 0.3710926E+00 Diamond 0.5080120E+01 Metallicity -0.6475441E+01 Ellipticity 0.1239657E-02 Gb(Abramov) 0.1531030E+00 Vb(Abramov) -0.6772985E+00 Hb(Abramov) -0.5241956E+00 Ex_ueg -0.1527603E+00 Ec_ueg -0.1917216E-01 Delta_ex 0.1447945E+00 Delta_ec 0.5282361E-01 Delta_et -0.1228570E+01 Pxc 0.7967819E+01 Qxc 0.2741093E+01 3,-1 50 3 +1 -0.080770 -0.038966 2.952478 Rho 0.4186439E-02 |GRAD(Rho)| 0.1624069E-15 GRAD(Rho)x -0.1314693E-15 GRAD(Rho)y 0.9448928E-16 GRAD(Rho)z 0.1279003E-16 Laplacian 0.1524327E-01 (-1/4)Del**2(Rho)) -0.3810818E-02 Diamond 0.2296497E-03 Metallicity 0.4915974E+00 Ellipticity -0.1850398E+01 Gb(Abramov) 0.2852777E-02 Vb(Abramov) -0.1894735E-02 Hb(Abramov) 0.9580412E-03 Ex_ueg -0.4983235E-03 Ec_ueg -0.1120717E-03 Delta_ex -0.6734270E-03 Delta_ec 0.3741827E-03 Delta_et -0.1969855E-02 Pxc 0.4446470E+01 Qxc -0.1799728E+01 3,+1 51 3 -1 -1.686265 1.912152 0.747953 Rho 0.3331277E-01 |GRAD(Rho)| 0.3211800E-12 GRAD(Rho)x 0.9948892E-14 GRAD(Rho)y -0.2935681E-12 GRAD(Rho)z 0.1299053E-12 Laplacian 0.1241676E+00 (-1/4)Del**2(Rho)) -0.3104191E-01 Diamond 0.3380632E-01 Metallicity 0.1914062E+01 Ellipticity 0.1212410E+00 Gb(Abramov) 0.3059729E-01 Vb(Abramov) -0.3015268E-01 Hb(Abramov) 0.4446148E-03 Ex_ueg -0.7916490E-02 Ec_ueg -0.1515716E-02 Delta_ex -0.9061119E-02 Delta_ec 0.3387909E-02 Delta_et -0.3203106E-01 Pxc 0.5222939E+01 Qxc -0.2674546E+01 3,-1 52 3 +1 -0.081314 2.890018 -0.012624 Rho 0.3543420E-02 |GRAD(Rho)| 0.4633444E-17 GRAD(Rho)x 0.2748830E-17 GRAD(Rho)y 0.1145121E-17 GRAD(Rho)z 0.3549851E-17 Laplacian 0.1357696E-01 (-1/4)Del**2(Rho)) -0.3394241E-02 Diamond 0.1591031E-03 Metallicity 0.4180050E+00 Ellipticity -0.1465723E+01 Gb(Abramov) 0.2499295E-02 Vb(Abramov) -0.1604350E-02 Hb(Abramov) 0.8949453E-03 Ex_ueg -0.3989776E-03 Ec_ueg -0.8477902E-04 Delta_ex -0.5735387E-03 Delta_ec 0.3218125E-03 Delta_et -0.1619194E-02 Pxc 0.4706089E+01 Qxc -0.1782214E+01 3,+1 53 3 -1 -1.991647 -1.122209 -0.134133 Rho 0.5219550E-01 |GRAD(Rho)| 0.5269891E-16 GRAD(Rho)x 0.2471085E-16 GRAD(Rho)y 0.1407224E-16 GRAD(Rho)z -0.4436802E-16 Laplacian 0.1335631E+00 (-1/4)Del**2(Rho)) -0.3339077E-01 Diamond 0.1109231E+00 Metallicity 0.3761102E+01 Ellipticity 0.8561373E-02 Gb(Abramov) 0.4319154E-01 Vb(Abramov) -0.5299230E-01 Hb(Abramov) -0.9800762E-02 Ex_ueg -0.1440663E-01 Ec_ueg -0.2536588E-02 Delta_ex -0.1270682E-01 Delta_ec 0.6822734E-02 Delta_et -0.7366987E-01 Pxc 0.5679533E+01 Qxc -0.1862423E+01 3,-1 54 3 -1 -1.956656 2.830770 -0.375045 Rho 0.1848889E+00 |GRAD(Rho)| 0.1966151E-13 GRAD(Rho)x -0.1196975E-13 GRAD(Rho)y 0.1556495E-13 GRAD(Rho)z -0.1016006E-14 Laplacian 0.7595826E+00 (-1/4)Del**2(Rho)) -0.1898957E+00 Diamond 0.1928276E+01 Metallicity 0.5443644E+01 Ellipticity 0.3016279E-01 Gb(Abramov) 0.2988845E+00 Vb(Abramov) -0.4078733E+00 Hb(Abramov) -0.1089888E+00 Ex_ueg -0.7779165E-01 Ec_ueg -0.1071320E-01 Delta_ex -0.8555489E-01 Delta_ec 0.1758554E-01 Delta_et -0.2379429E+00 Pxc 0.7261292E+01 Qxc -0.4865069E+01 3,-1 55 3 -1 -1.934649 3.320274 1.173514 Rho 0.2016412E+00 |GRAD(Rho)| 0.2031699E-13 GRAD(Rho)x -0.1203172E-13 GRAD(Rho)y -0.8940440E-14 GRAD(Rho)z -0.1371445E-13 Laplacian 0.7495205E+00 (-1/4)Del**2(Rho)) -0.1873801E+00 Diamond 0.2174129E+01 Metallicity 0.6374730E+01 Ellipticity 0.3836491E-01 Gb(Abramov) 0.3240030E+00 Vb(Abramov) -0.4606259E+00 Hb(Abramov) -0.1366229E+00 Ex_ueg -0.8732879E-01 Ec_ueg -0.1182792E-01 Delta_ex -0.8673322E-01 Delta_ec 0.1769176E-01 Delta_et -0.2436983E+00 Pxc 0.7383275E+01 Qxc -0.4902463E+01 3,-1 56 3 +1 0.568043 0.470451 1.791631 Rho 0.7320267E-02 |GRAD(Rho)| 0.9964454E-17 GRAD(Rho)x -0.4997399E-17 GRAD(Rho)y -0.3608060E-17 GRAD(Rho)z -0.7829321E-17 Laplacian 0.2792003E-01 (-1/4)Del**2(Rho)) -0.6980008E-02 Diamond 0.5759429E-03 Metallicity 0.6811489E+00 Ellipticity -0.1366104E+01 Gb(Abramov) 0.5445743E-02 Vb(Abramov) -0.3911478E-02 Hb(Abramov) 0.1534265E-02 Ex_ueg -0.1049754E-02 Ec_ueg -0.2480904E-03 Delta_ex -0.1211440E-02 Delta_ec 0.3688650E-03 Delta_et -0.2438720E-02 Pxc 0.4231337E+01 Qxc -0.3284237E+01 3,+1 57 3 +1 -0.653807 1.554288 -0.548731 Rho 0.8522826E-02 |GRAD(Rho)| 0.1022665E-16 GRAD(Rho)x -0.3279970E-17 GRAD(Rho)y 0.2754492E-17 GRAD(Rho)z 0.9286492E-17 Laplacian 0.3361419E-01 (-1/4)Del**2(Rho)) -0.8403547E-02 Diamond 0.9218952E-03 Metallicity 0.7290040E+00 Ellipticity -0.1467225E+01 Gb(Abramov) 0.6623401E-02 Vb(Abramov) -0.4843256E-02 Hb(Abramov) 0.1780146E-02 Ex_ueg -0.1285770E-02 Ec_ueg -0.3015285E-03 Delta_ex -0.1547323E-02 Delta_ec 0.5001349E-03 Delta_et -0.3388383E-02 Pxc 0.4264174E+01 Qxc -0.3093811E+01 3,+1 58 3 -1 -1.116511 0.071660 -1.949644 Rho 0.6467712E-02 |GRAD(Rho)| 0.5954999E-17 GRAD(Rho)x 0.4759684E-18 GRAD(Rho)y 0.3723711E-17 GRAD(Rho)z -0.4622710E-17 Laplacian 0.2148123E-01 (-1/4)Del**2(Rho)) -0.5370308E-02 Diamond 0.7888592E-03 Metallicity 0.7202308E+00 Ellipticity 0.9055072E+00 Gb(Abramov) 0.4224849E-02 Vb(Abramov) -0.3079390E-02 Hb(Abramov) 0.1145459E-02 Ex_ueg -0.8899917E-03 Ec_ueg -0.2106111E-03 Delta_ex -0.1176595E-02 Delta_ec 0.7712504E-03 Delta_et -0.4487296E-02 Pxc 0.4225758E+01 Qxc -0.1525568E+01 3,-1 59 3 +1 0.555202 1.728099 0.547436 Rho 0.6873714E-02 |GRAD(Rho)| 0.2390212E-16 GRAD(Rho)x -0.1475717E-16 GRAD(Rho)y -0.1665174E-16 GRAD(Rho)z -0.8732515E-17 Laplacian 0.2570002E-01 (-1/4)Del**2(Rho)) -0.6425006E-02 Diamond 0.4914128E-03 Metallicity 0.6662932E+00 Ellipticity -0.1372833E+01 Gb(Abramov) 0.4996827E-02 Vb(Abramov) -0.3568648E-02 Hb(Abramov) 0.1428179E-02 Ex_ueg -0.9652511E-03 Ec_ueg -0.2284166E-03 Delta_ex -0.1100504E-02 Delta_ec 0.3447062E-03 Delta_et -0.2237801E-02 Pxc 0.4225836E+01 Qxc -0.3192587E+01 3,+1 60 3 +1 -0.571842 -0.667679 1.626550 Rho 0.9031545E-02 |GRAD(Rho)| 0.6270957E-15 GRAD(Rho)x 0.3973235E-15 GRAD(Rho)y -0.1218074E-16 GRAD(Rho)z -0.4850099E-15 Laplacian 0.3282441E-01 (-1/4)Del**2(Rho)) -0.8206102E-02 Diamond 0.9046034E-03 Metallicity 0.8222799E+00 Ellipticity -0.1501694E+01 Gb(Abramov) 0.6595353E-02 Vb(Abramov) -0.4984605E-02 Hb(Abramov) 0.1610748E-02 Ex_ueg -0.1389103E-02 Ec_ueg -0.3243297E-03 Delta_ex -0.1503746E-02 Delta_ec 0.4359248E-03 Delta_et -0.3037980E-02 Pxc 0.4282996E+01 Qxc -0.3449554E+01 3,+1 61 3 -1 -1.706401 0.469547 1.709928 Rho 0.5417455E-01 |GRAD(Rho)| 0.1745502E-15 GRAD(Rho)x 0.1129442E-15 GRAD(Rho)y 0.8492861E-16 GRAD(Rho)z -0.1024622E-15 Laplacian 0.2246436E+00 (-1/4)Del**2(Rho)) -0.5616091E-01 Diamond 0.1332763E+00 Metallicity 0.2379275E+01 Ellipticity 0.1850186E-01 Gb(Abramov) 0.5971098E-01 Vb(Abramov) -0.6326105E-01 Hb(Abramov) -0.3550070E-02 Ex_ueg -0.1513952E-01 Ec_ueg -0.2646895E-02 Delta_ex -0.1911253E-01 Delta_ec 0.7123833E-02 Delta_et -0.7685315E-01 Pxc 0.5719730E+01 Qxc -0.2682900E+01 3,-1 62 3 +1 -0.975742 1.387838 2.267150 Rho 0.2852529E-01 |GRAD(Rho)| 0.5717653E-16 GRAD(Rho)x -0.3107686E-16 GRAD(Rho)y 0.1480962E-16 GRAD(Rho)z 0.4565150E-16 Laplacian 0.1077169E+00 (-1/4)Del**2(Rho)) -0.2692924E-01 Diamond 0.1408845E-01 Metallicity 0.1703645E+01 Ellipticity -0.2438175E+01 Gb(Abramov) 0.2559913E-01 Vb(Abramov) -0.2426903E-01 Hb(Abramov) 0.1330101E-02 Ex_ueg -0.6437122E-02 Ec_ueg -0.1267794E-02 Delta_ex -0.6685034E-02 Delta_ec 0.1371414E-02 Delta_et -0.1255836E-01 Pxc 0.5077421E+01 Qxc -0.4874558E+01 3,+1 63 3 +1 -1.052978 2.274311 1.566868 Rho 0.1880219E-01 |GRAD(Rho)| 0.3225274E-16 GRAD(Rho)x 0.2806511E-16 GRAD(Rho)y 0.4854069E-17 GRAD(Rho)z 0.1513364E-16 Laplacian 0.6427145E-01 (-1/4)Del**2(Rho)) -0.1606786E-01 Diamond 0.4691369E-02 Metallicity 0.1425419E+01 Ellipticity -0.2180945E+01 Gb(Abramov) 0.1452915E-01 Vb(Abramov) -0.1299043E-01 Hb(Abramov) 0.1538714E-02 Ex_ueg -0.3692579E-02 Ec_ueg -0.7820361E-03 Delta_ex -0.3549909E-02 Delta_ec 0.8098577E-03 Delta_et -0.6771753E-02 Pxc 0.4721750E+01 Qxc -0.4383374E+01 3,+1 64 3 -1 -0.844890 1.861238 3.148444 Rho 0.1215108E+00 |GRAD(Rho)| 0.1667384E-15 GRAD(Rho)x 0.4275822E-16 GRAD(Rho)y -0.2013906E-16 GRAD(Rho)z -0.1598995E-15 Laplacian 0.4852425E+00 (-1/4)Del**2(Rho)) -0.1213106E+00 Diamond 0.7778140E+00 Metallicity 0.4233302E+01 Ellipticity 0.1349262E-01 Gb(Abramov) 0.1664645E+00 Vb(Abramov) -0.2116184E+00 Hb(Abramov) -0.4515388E-01 Ex_ueg -0.4444999E-01 Ec_ueg -0.6645604E-02 Delta_ex -0.4970632E-01 Delta_ec 0.1329125E-01 Delta_et -0.1717721E+00 Pxc 0.6688631E+01 Qxc -0.3739778E+01 3,-1 65 3 +3 -0.044996 2.514266 -0.006906 Rho 0.3435191E-02 |GRAD(Rho)| 0.5872881E-14 GRAD(Rho)x -0.1137182E-14 GRAD(Rho)y 0.5717212E-14 GRAD(Rho)z 0.7148658E-15 Laplacian 0.1350249E-01 (-1/4)Del**2(Rho)) -0.3375622E-02 Diamond 0.9728377E-04 Metallicity 0.3991328E+00 Ellipticity -0.4452127E+00 Gb(Abramov) 0.2474968E-02 Vb(Abramov) -0.1574314E-02 Hb(Abramov) 0.9006538E-03 Ex_ueg -0.3828126E-03 Ec_ueg -0.8020698E-04 Delta_ex -0.4833856E-03 Delta_ec 0.1710401E-03 Delta_et -0.9348126E-03 Pxc 0.4772809E+01 Qxc -0.2826154E+01 3,+3 66 3 -1 -0.772219 3.035415 2.268873 Rho 0.6668593E-01 |GRAD(Rho)| 0.2419284E-15 GRAD(Rho)x 0.1390726E-15 GRAD(Rho)y -0.1624152E-15 GRAD(Rho)z 0.1131788E-15 Laplacian 0.2864635E+00 (-1/4)Del**2(Rho)) -0.7161587E-01 Diamond 0.2263476E+00 Metallicity 0.2637956E+01 Ellipticity 0.2139707E-01 Gb(Abramov) 0.7923050E-01 Vb(Abramov) -0.8684513E-01 Hb(Abramov) -0.7614629E-02 Ex_ueg -0.1997242E-01 Ec_ueg -0.3356098E-02 Delta_ex -0.2571082E-01 Delta_ec 0.9121711E-02 Delta_et -0.1038549E+00 Pxc 0.5951084E+01 Qxc -0.2818641E+01 3,-1 67 3 +3 0.002816 -0.066025 2.508612 Rho 0.3974592E-02 |GRAD(Rho)| 0.2098538E-11 GRAD(Rho)x 0.1381365E-11 GRAD(Rho)y 0.1516626E-11 GRAD(Rho)z -0.4421960E-12 Laplacian 0.1507031E-01 (-1/4)Del**2(Rho)) -0.3767577E-02 Diamond 0.1166821E-03 Metallicity 0.4560144E+00 Ellipticity -0.3120392E+00 Gb(Abramov) 0.2798063E-02 Vb(Abramov) -0.1828549E-02 Hb(Abramov) 0.9695140E-03 Ex_ueg -0.4649880E-03 Ec_ueg -0.1030557E-03 Delta_ex -0.5389309E-03 Delta_ec 0.1559427E-03 Delta_et -0.9216186E-03 Pxc 0.4512005E+01 Qxc -0.3455955E+01 3,+3 68 3 +1 -0.833740 0.306159 -1.794272 Rho 0.6233748E-02 |GRAD(Rho)| 0.6430873E-15 GRAD(Rho)x 0.5112451E-15 GRAD(Rho)y 0.1602625E-15 GRAD(Rho)z 0.3556764E-15 Laplacian 0.2037028E-01 (-1/4)Del**2(Rho)) -0.5092569E-02 Diamond 0.4631459E-03 Metallicity 0.7142742E+00 Ellipticity -0.2250200E+01 Gb(Abramov) 0.4001295E-02 Vb(Abramov) -0.2910020E-02 Hb(Abramov) 0.1091275E-02 Ex_ueg -0.8473264E-03 Ec_ueg -0.2003864E-03 Delta_ex -0.9357953E-03 Delta_ec 0.4240389E-03 Delta_et -0.2545394E-02 Pxc 0.4228463E+01 Qxc -0.2206862E+01 3,+1 69 3 -1 0.456100 -0.527809 0.491426 Rho 0.1674648E+00 |GRAD(Rho)| 0.7939267E-14 GRAD(Rho)x -0.5176415E-14 GRAD(Rho)y 0.4315992E-14 GRAD(Rho)z -0.4196296E-14 Laplacian 0.4123351E+00 (-1/4)Del**2(Rho)) -0.1030838E+00 Diamond 0.9713613E+00 Metallicity 0.8502937E+01 Ellipticity 0.8851838E-02 Gb(Abramov) 0.2148083E+00 Vb(Abramov) -0.3265328E+00 Hb(Abramov) -0.1117245E+00 Ex_ueg -0.6817365E-01 Ec_ueg -0.9570734E-02 Delta_ex -0.4565638E-01 Delta_ec 0.1044500E-01 Delta_et -0.1417676E+00 Pxc 0.7123137E+01 Qxc -0.4371125E+01 3,-1 70 3 -1 -0.487680 0.420190 0.507975 Rho 0.1678320E+00 |GRAD(Rho)| 0.4573768E-13 GRAD(Rho)x 0.2284110E-13 GRAD(Rho)y -0.2819620E-13 GRAD(Rho)z -0.2784231E-13 Laplacian 0.4213243E+00 (-1/4)Del**2(Rho)) -0.1053311E+00 Diamond 0.9932400E+00 Metallicity 0.8351947E+01 Ellipticity 0.6728512E-02 Gb(Abramov) 0.2168407E+00 Vb(Abramov) -0.3283502E+00 Hb(Abramov) -0.1115096E+00 Ex_ueg -0.6837300E-01 Ec_ueg -0.9594624E-02 Delta_ex -0.4666070E-01 Delta_ec 0.1063751E-01 Delta_et -0.1443432E+00 Pxc 0.7126178E+01 Qxc -0.4386432E+01 3,-1 71 3 -1 -0.450028 1.642136 1.900278 Rho 0.4117257E-01 |GRAD(Rho)| 0.4752831E-16 GRAD(Rho)x 0.1984132E-16 GRAD(Rho)y 0.2313247E-17 GRAD(Rho)z 0.4312668E-16 Laplacian 0.1706234E+00 (-1/4)Del**2(Rho)) -0.4265584E-01 Diamond 0.7040138E-01 Metallicity 0.1982689E+01 Ellipticity 0.6499090E-01 Gb(Abramov) 0.4253278E-01 Vb(Abramov) -0.4240971E-01 Hb(Abramov) 0.1230682E-03 Ex_ueg -0.1050016E-01 Ec_ueg -0.1933076E-02 Delta_ex -0.1360107E-01 Delta_ec 0.5487994E-02 Delta_et -0.5502030E-01 Pxc 0.5431838E+01 Qxc -0.2478332E+01 3,-1 72 3 -1 -0.811285 1.585317 -2.989012 Rho 0.1969098E+00 |GRAD(Rho)| 0.2186776E-13 GRAD(Rho)x 0.1640924E-13 GRAD(Rho)y 0.1386678E-13 GRAD(Rho)z 0.4080232E-14 Laplacian 0.7706391E+00 (-1/4)Del**2(Rho)) -0.1926598E+00 Diamond 0.2141253E+01 Metallicity 0.5959471E+01 Ellipticity 0.7519364E-02 Gb(Abramov) 0.3197983E+00 Vb(Abramov) -0.4469367E+00 Hb(Abramov) -0.1271385E+00 Ex_ueg -0.8460738E-01 Ec_ueg -0.1151149E-01 Delta_ex -0.8842272E-01 Delta_ec 0.1792141E-01 Delta_et -0.2450637E+00 Pxc 0.7349822E+01 Qxc -0.4933914E+01 3,-1 73 3 +1 1.698638 0.575335 0.515343 Rho 0.6811346E-02 |GRAD(Rho)| 0.7479092E-17 GRAD(Rho)x -0.3470808E-17 GRAD(Rho)y -0.5877717E-17 GRAD(Rho)z 0.3056591E-17 Laplacian 0.2603920E-01 (-1/4)Del**2(Rho)) -0.6509801E-02 Diamond 0.5252044E-03 Metallicity 0.6476998E+00 Ellipticity -0.1413084E+01 Gb(Abramov) 0.5042600E-02 Vb(Abramov) -0.3575399E-02 Hb(Abramov) 0.1467201E-02 Ex_ueg -0.9535914E-03 Ec_ueg -0.2256763E-03 Delta_ex -0.1133052E-02 Delta_ec 0.3859636E-03 Delta_et -0.2466557E-02 Pxc 0.4225483E+01 Qxc -0.2935643E+01 3,+1 74 3 -1 -0.865224 2.505430 -1.853975 Rho 0.7583380E-01 |GRAD(Rho)| 0.9025917E-14 GRAD(Rho)x 0.6778581E-14 GRAD(Rho)y -0.8521660E-15 GRAD(Rho)z -0.5898460E-14 Laplacian 0.3404864E+00 (-1/4)Del**2(Rho)) -0.8512160E-01 Diamond 0.3215778E+00 Metallicity 0.2749697E+01 Ellipticity 0.2637155E-01 Gb(Abramov) 0.9575749E-01 Vb(Abramov) -0.1063934E+00 Hb(Abramov) -0.1063590E-01 Ex_ueg -0.2370658E-01 Ec_ueg -0.3886145E-02 Delta_ex -0.3160717E-01 Delta_ec 0.1088544E-01 Delta_et -0.1280372E+00 Pxc 0.6100280E+01 Qxc -0.2903618E+01 3,-1 75 3 +1 0.300438 -2.113172 -0.687795 Rho 0.5776572E-02 |GRAD(Rho)| 0.6689690E-17 GRAD(Rho)x -0.2606366E-19 GRAD(Rho)y -0.5402245E-17 GRAD(Rho)z 0.3945506E-17 Laplacian 0.1763866E-01 (-1/4)Del**2(Rho)) -0.4409666E-02 Diamond 0.3856721E-03 Metallicity 0.7265484E+00 Ellipticity -0.3423707E+01 Gb(Abramov) 0.3473750E-02 Vb(Abramov) -0.2537834E-02 Hb(Abramov) 0.9359160E-03 Ex_ueg -0.7655003E-03 Ec_ueg -0.1804835E-03 Delta_ex -0.8148443E-03 Delta_ec 0.3997809E-03 Delta_et -0.2328959E-02 Pxc 0.4241388E+01 Qxc -0.2038227E+01 3,+1 76 3 -1 0.156744 -2.229490 -0.820878 Rho 0.5811755E-02 |GRAD(Rho)| 0.3010521E-14 GRAD(Rho)x -0.2728882E-14 GRAD(Rho)y 0.8747965E-15 GRAD(Rho)z -0.9225883E-15 Laplacian 0.1812962E-01 (-1/4)Del**2(Rho)) -0.4532406E-02 Diamond 0.5192810E-03 Metallicity 0.7140630E+00 Ellipticity 0.2159040E+01 Gb(Abramov) 0.3561008E-02 Vb(Abramov) -0.2589610E-02 Hb(Abramov) 0.9713981E-03 Ex_ueg -0.7717230E-03 Ec_ueg -0.1820115E-03 Delta_ex -0.9295171E-03 Delta_ec 0.5731688E-03 Delta_et -0.3255517E-02 Pxc 0.4239969E+01 Qxc -0.1621716E+01 3,-1 77 3 -1 -0.442009 -1.874844 2.922580 Rho 0.1328113E+00 |GRAD(Rho)| 0.2594328E-13 GRAD(Rho)x -0.4362586E-14 GRAD(Rho)y 0.1973463E-13 GRAD(Rho)z -0.1626548E-13 Laplacian 0.5727543E+00 (-1/4)Del**2(Rho)) -0.1431886E+00 Diamond 0.1009215E+01 Metallicity 0.4159455E+01 Ellipticity 0.3228970E-01 Gb(Abramov) 0.1947234E+00 Vb(Abramov) -0.2462583E+00 Hb(Abramov) -0.5153487E-01 Ex_ueg -0.5004550E-01 Ec_ueg -0.7352444E-02 Delta_ex -0.5978504E-01 Delta_ec 0.1510438E-01 Delta_et -0.1977078E+00 Pxc 0.6806648E+01 Qxc -0.3958126E+01 3,-1 78 3 +1 1.408462 -0.660056 -0.630761 Rho 0.1071914E-01 |GRAD(Rho)| 0.4511527E-16 GRAD(Rho)x -0.2692162E-16 GRAD(Rho)y 0.3605735E-16 GRAD(Rho)z -0.3237519E-17 Laplacian 0.3951829E-01 (-1/4)Del**2(Rho)) -0.9879573E-02 Diamond 0.1426872E-02 Metallicity 0.9086883E+00 Ellipticity -0.1635438E+01 Gb(Abramov) 0.8082624E-02 Vb(Abramov) -0.6285675E-02 Hb(Abramov) 0.1796949E-02 Ex_ueg -0.1745548E-02 Ec_ueg -0.4007677E-03 Delta_ex -0.1909373E-02 Delta_ec 0.5550965E-03 Delta_et -0.4014156E-02 Pxc 0.4355510E+01 Qxc -0.3439713E+01 3,+1 79 3 -1 -0.277624 2.972313 -3.319679 Rho 0.1959548E+00 |GRAD(Rho)| 0.2489734E-13 GRAD(Rho)x 0.3698932E-14 GRAD(Rho)y -0.1873545E-13 GRAD(Rho)z 0.1597431E-13 Laplacian 0.7426654E+00 (-1/4)Del**2(Rho)) -0.1856664E+00 Diamond 0.2069299E+01 Metallicity 0.6134038E+01 Ellipticity 0.2579005E-01 Gb(Abramov) 0.3135917E+00 Vb(Abramov) -0.4415170E+00 Hb(Abramov) -0.1279253E+00 Ex_ueg -0.8406069E-01 Ec_ueg -0.1144777E-01 Delta_ex -0.8523147E-01 Delta_ec 0.1751545E-01 Delta_et -0.2401723E+00 Pxc 0.7342976E+01 Qxc -0.4866073E+01 3,-1 80 3 -1 0.162567 3.003748 3.543801 Rho 0.2046799E+00 |GRAD(Rho)| 0.3090734E-10 GRAD(Rho)x 0.4554590E-11 GRAD(Rho)y 0.1990541E-10 GRAD(Rho)z 0.2320117E-10 Laplacian 0.7711725E+00 (-1/4)Del**2(Rho)) -0.1927931E+00 Diamond 0.2254416E+01 Metallicity 0.6352146E+01 Ellipticity 0.3647713E-02 Gb(Abramov) 0.3326371E+00 Vb(Abramov) -0.4724810E+00 Hb(Abramov) -0.1398440E+00 Ex_ueg -0.8908791E-01 Ec_ueg -0.1203181E-01 Delta_ex -0.8942820E-01 Delta_ec 0.1785699E-01 Delta_et -0.2453148E+00 Pxc 0.7404365E+01 Qxc -0.5008023E+01 3,-1 81 3 -1 0.394891 0.404271 -0.476848 Rho 0.1726553E+00 |GRAD(Rho)| 0.3231804E-15 GRAD(Rho)x 0.3469447E-16 GRAD(Rho)y 0.1353084E-15 GRAD(Rho)z -0.2914335E-15 Laplacian 0.4408504E+00 (-1/4)Del**2(Rho)) -0.1102126E+00 Diamond 0.1078067E+01 Metallicity 0.8368005E+01 Ellipticity 0.6293495E-02 Gb(Abramov) 0.2271850E+00 Vb(Abramov) -0.3441574E+00 Hb(Abramov) -0.1169724E+00 Ex_ueg -0.7100546E-01 Ec_ueg -0.9909227E-02 Delta_ex -0.4919183E-01 Delta_ec 0.1109185E-01 Delta_et -0.1511472E+00 Pxc 0.7165590E+01 Qxc -0.4434953E+01 3,-1 82 3 -1 0.356635 1.556200 -1.797815 Rho 0.4860183E-01 |GRAD(Rho)| 0.1410971E-15 GRAD(Rho)x 0.5944985E-16 GRAD(Rho)y -0.3174341E-16 GRAD(Rho)z 0.1239616E-15 Laplacian 0.2043680E+00 (-1/4)Del**2(Rho)) -0.5109200E-01 Diamond 0.1065858E+00 Metallicity 0.2182502E+01 Ellipticity 0.1790738E-01 Gb(Abramov) 0.5264607E-01 Vb(Abramov) -0.5420013E-01 Hb(Abramov) -0.1554067E-02 Ex_ueg -0.1309952E-01 Ec_ueg -0.2337735E-02 Delta_ex -0.1701151E-01 Delta_ec 0.6642434E-02 Delta_et -0.6966903E-01 Pxc 0.5603507E+01 Qxc -0.2561036E+01 3,-1 83 3 +1 2.245022 -1.611016 0.908503 Rho 0.2179896E-01 |GRAD(Rho)| 0.2316701E-14 GRAD(Rho)x 0.1482719E-14 GRAD(Rho)y -0.1597148E-14 GRAD(Rho)z -0.7859832E-15 Laplacian 0.7914789E-01 (-1/4)Del**2(Rho)) -0.1978697E-01 Diamond 0.6011283E-02 Metallicity 0.1481040E+01 Ellipticity -0.1685971E+01 Gb(Abramov) 0.1807553E-01 Vb(Abramov) -0.1636409E-01 Hb(Abramov) 0.1711441E-02 Ex_ueg -0.4497448E-02 Ec_ueg -0.9289381E-03 Delta_ex -0.4412465E-02 Delta_ec 0.7467340E-03 Delta_et -0.6563984E-02 Pxc 0.4841494E+01 Qxc -0.5909019E+01 3,+1 84 3 -1 2.848428 -2.086160 0.739618 Rho 0.4108250E-01 |GRAD(Rho)| 0.9840933E-13 GRAD(Rho)x 0.2297763E-13 GRAD(Rho)y -0.8150277E-13 GRAD(Rho)z -0.5013704E-13 Laplacian 0.1641140E+00 (-1/4)Del**2(Rho)) -0.4102850E-01 Diamond 0.6900775E-01 Metallicity 0.2053820E+01 Ellipticity 0.3693801E-01 Gb(Abramov) 0.4139652E-01 Vb(Abramov) -0.4176455E-01 Hb(Abramov) -0.3680277E-03 Ex_ueg -0.1046954E-01 Ec_ueg -0.1928227E-02 Delta_ex -0.1315882E-01 Delta_ec 0.5428017E-02 Delta_et -0.5440485E-01 Pxc 0.5429619E+01 Qxc -0.2424241E+01 3,-1 85 3 -1 0.868384 -2.985613 2.247431 Rho 0.1548122E+00 |GRAD(Rho)| 0.1183053E-15 GRAD(Rho)x -0.4119968E-17 GRAD(Rho)y -0.1179070E-15 GRAD(Rho)z -0.8782038E-17 Laplacian 0.6056820E+00 (-1/4)Del**2(Rho)) -0.1514205E+00 Diamond 0.1290529E+01 Metallicity 0.5078206E+01 Ellipticity 0.5166118E-01 Gb(Abramov) 0.2291044E+00 Vb(Abramov) -0.3067884E+00 Hb(Abramov) -0.7768393E-01 Ex_ueg -0.6139390E-01 Ec_ueg -0.8752271E-02 Delta_ex -0.6570212E-01 Delta_ec 0.1551412E-01 Delta_et -0.2080599E+00 Pxc 0.7014625E+01 Qxc -0.4234989E+01 3,-1 86 3 +1 0.978878 1.229730 -2.240057 Rho 0.2720151E-01 |GRAD(Rho)| 0.1950120E-14 GRAD(Rho)x -0.1273042E-14 GRAD(Rho)y 0.1231232E-14 GRAD(Rho)z -0.8163328E-15 Laplacian 0.1020472E+00 (-1/4)Del**2(Rho)) -0.2551179E-01 Diamond 0.1421908E-01 Metallicity 0.1661373E+01 Ellipticity -0.3832332E+01 Gb(Abramov) 0.2407196E-01 Vb(Abramov) -0.2263213E-01 Hb(Abramov) 0.1439830E-02 Ex_ueg -0.6041930E-02 Ec_ueg -0.1200183E-02 Delta_ex -0.6416906E-02 Delta_ec 0.1597819E-02 Delta_et -0.1441905E-01 Pxc 0.5034174E+01 Qxc -0.4016041E+01 3,+1 87 3 +3 1.129521 1.109104 1.135392 Rho 0.4096500E-02 |GRAD(Rho)| 0.1866743E-16 GRAD(Rho)x 0.8582088E-17 GRAD(Rho)y 0.1469318E-16 GRAD(Rho)z -0.7676660E-17 Laplacian 0.1527401E-01 (-1/4)Del**2(Rho)) -0.3818503E-02 Diamond 0.8682037E-04 Metallicity 0.4731676E+00 Ellipticity -0.2601636E+00 Gb(Abramov) 0.2846801E-02 Vb(Abramov) -0.1875098E-02 Hb(Abramov) 0.9717023E-03 Ex_ueg -0.4841006E-03 Ec_ueg -0.1082411E-03 Delta_ex -0.5062679E-03 Delta_ec 0.7938818E-04 Delta_et -0.5711897E-03 Pxc 0.4472427E+01 Qxc -0.6377119E+01 3,+3 88 3 -1 0.690789 1.712055 -3.107827 Rho 0.1103266E+00 |GRAD(Rho)| 0.9519739E-16 GRAD(Rho)x 0.1348476E-16 GRAD(Rho)y 0.5066612E-16 GRAD(Rho)z 0.7945847E-16 Laplacian 0.4395923E+00 (-1/4)Del**2(Rho)) -0.1098981E+00 Diamond 0.6375157E+00 Metallicity 0.3978291E+01 Ellipticity 0.1140808E-01 Gb(Abramov) 0.1461331E+00 Vb(Abramov) -0.1823682E+00 Hb(Abramov) -0.3623506E-01 Ex_ueg -0.3908035E-01 Ec_ueg -0.5954735E-02 Delta_ex -0.4416826E-01 Delta_ec 0.1258148E-01 Delta_et -0.1601188E+00 Pxc 0.6562904E+01 Qxc -0.3510577E+01 3,-1 89 3 -1 0.716176 1.663124 2.995450 Rho 0.1521158E+00 |GRAD(Rho)| 0.2412132E-12 GRAD(Rho)x -0.1686238E-12 GRAD(Rho)y 0.1692748E-12 GRAD(Rho)z -0.3310390E-13 Laplacian 0.6379704E+00 (-1/4)Del**2(Rho)) -0.1594926E+00 Diamond 0.1340834E+01 Metallicity 0.4682056E+01 Ellipticity 0.2638351E-01 Gb(Abramov) 0.2307873E+00 Vb(Abramov) -0.3020820E+00 Hb(Abramov) -0.7129470E-01 Ex_ueg -0.5997233E-01 Ec_ueg -0.8579095E-02 Delta_ex -0.6900325E-01 Delta_ec 0.1658522E-01 Delta_et -0.2222795E+00 Pxc 0.6990520E+01 Qxc -0.4160526E+01 3,-1 90 3 +1 0.847854 2.163624 -1.481548 Rho 0.2497966E-01 |GRAD(Rho)| 0.3650975E-15 GRAD(Rho)x -0.2375116E-15 GRAD(Rho)y -0.9867105E-17 GRAD(Rho)z -0.2771048E-15 Laplacian 0.9111119E-01 (-1/4)Del**2(Rho)) -0.2277780E-01 Diamond 0.1031757E-01 Metallicity 0.1614429E+01 Ellipticity -0.2583527E+01 Gb(Abramov) 0.2131405E-01 Vb(Abramov) -0.1985031E-01 Hb(Abramov) 0.1463744E-02 Ex_ueg -0.5393041E-02 Ec_ueg -0.1087690E-02 Delta_ex -0.5493019E-02 Delta_ec 0.1238334E-02 Delta_et -0.1100038E-01 Pxc 0.4958252E+01 Qxc -0.4435815E+01 3,+1 91 3 -1 0.716360 -1.669701 1.956811 Rho 0.3841169E-01 |GRAD(Rho)| 0.2550161E-16 GRAD(Rho)x -0.4517015E-17 GRAD(Rho)y 0.1673377E-16 GRAD(Rho)z -0.1870588E-16 Laplacian 0.1581389E+00 (-1/4)Del**2(Rho)) -0.3953473E-01 Diamond 0.5880859E-01 Metallicity 0.1905520E+01 Ellipticity 0.6305204E-01 Gb(Abramov) 0.3891219E-01 Vb(Abramov) -0.3828965E-01 Hb(Abramov) 0.6225414E-03 Ex_ueg -0.9572007E-02 Ec_ueg -0.1785118E-02 Delta_ex -0.1235963E-01 Delta_ec 0.5026065E-02 Delta_et -0.4943332E-01 Pxc 0.5362114E+01 Qxc -0.2459107E+01 3,-1 92 3 -1 1.089273 -2.215263 1.372973 Rho 0.2724169E-01 |GRAD(Rho)| 0.4672931E-16 GRAD(Rho)x 0.1132923E-16 GRAD(Rho)y -0.4518273E-16 GRAD(Rho)z 0.3714576E-17 Laplacian 0.1047658E+00 (-1/4)Del**2(Rho)) -0.2619146E-01 Diamond 0.1745336E-01 Metallicity 0.1622247E+01 Ellipticity 0.9417413E+01 Gb(Abramov) 0.2454247E-01 Vb(Abramov) -0.2289349E-01 Hb(Abramov) 0.1648982E-02 Ex_ueg -0.6053835E-02 Ec_ueg -0.1202229E-02 Delta_ex -0.6864188E-02 Delta_ec 0.2129026E-02 Delta_et -0.1913023E-01 Pxc 0.5035508E+01 Qxc -0.3224097E+01 3,-1 93 3 +1 1.025682 -2.186932 1.486452 Rho 0.2721288E-01 |GRAD(Rho)| 0.9316199E-16 GRAD(Rho)x 0.9734045E-17 GRAD(Rho)y -0.8562567E-16 GRAD(Rho)z 0.3539278E-16 Laplacian 0.1024096E+00 (-1/4)Del**2(Rho)) -0.2560239E-01 Diamond 0.1535195E-01 Metallicity 0.1656647E+01 Ellipticity -0.7890462E+01 Gb(Abramov) 0.2413729E-01 Vb(Abramov) -0.2267218E-01 Hb(Abramov) 0.1465109E-02 Ex_ueg -0.6045298E-02 Ec_ueg -0.1200762E-02 Delta_ex -0.6544610E-02 Delta_ec 0.1789504E-02 Delta_et -0.1611632E-01 Pxc 0.5034552E+01 Qxc -0.3657220E+01 3,+1 94 3 -1 2.327647 -0.772243 3.079085 Rho 0.9993312E-01 |GRAD(Rho)| 0.5800143E-13 GRAD(Rho)x 0.2764136E-13 GRAD(Rho)y 0.3831793E-13 GRAD(Rho)z -0.3364308E-13 Laplacian 0.3884940E+00 (-1/4)Del**2(Rho)) -0.9712351E-01 Diamond 0.4802449E+00 Metallicity 0.3817197E+01 Ellipticity 0.2504053E-01 Gb(Abramov) 0.1265389E+00 Vb(Abramov) -0.1559544E+00 Hb(Abramov) -0.2941542E-01 Ex_ueg -0.3425030E-01 Ec_ueg -0.5321001E-02 Delta_ex -0.3781033E-01 Delta_ec 0.1075697E-01 Delta_et -0.1335107E+00 Pxc 0.6436814E+01 Qxc -0.3514962E+01 3,-1 95 3 -1 1.158252 2.181198 -1.146401 Rho 0.2589997E-01 |GRAD(Rho)| 0.1858893E-15 GRAD(Rho)x 0.1095600E-15 GRAD(Rho)y 0.1398037E-15 GRAD(Rho)z 0.5483017E-16 Laplacian 0.1000194E+00 (-1/4)Del**2(Rho)) -0.2500485E-01 Diamond 0.1601720E-01 Metallicity 0.1562049E+01 Ellipticity 0.6471942E+01 Gb(Abramov) 0.2317969E-01 Vb(Abramov) -0.2135454E-01 Hb(Abramov) 0.1825151E-02 Ex_ueg -0.5659579E-02 Ec_ueg -0.1134132E-02 Delta_ex -0.6516300E-02 Delta_ec 0.2119555E-02 Delta_et -0.1878460E-01 Pxc 0.4990228E+01 Qxc -0.3074372E+01 3,-1 96 3 -1 1.598271 1.851265 -0.539068 Rho 0.3289397E-01 |GRAD(Rho)| 0.1991856E-16 GRAD(Rho)x -0.4044794E-17 GRAD(Rho)y -0.8237395E-17 GRAD(Rho)z 0.1767864E-16 Laplacian 0.1340588E+00 (-1/4)Del**2(Rho)) -0.3351469E-01 Diamond 0.3997346E-01 Metallicity 0.1735848E+01 Ellipticity 0.1114603E+00 Gb(Abramov) 0.3203920E-01 Vb(Abramov) -0.3056370E-01 Hb(Abramov) 0.1475496E-02 Ex_ueg -0.7784070E-02 Ec_ueg -0.1493825E-02 Delta_ex -0.1006082E-01 Delta_ec 0.4209130E-02 Delta_et -0.3965752E-01 Pxc 0.5210832E+01 Qxc -0.2390237E+01 3,-1 97 3 +1 1.802045 1.804865 1.880737 Rho 0.1117047E-01 |GRAD(Rho)| 0.1007346E-16 GRAD(Rho)x 0.6583724E-17 GRAD(Rho)y -0.7540402E-17 GRAD(Rho)z 0.1127642E-17 Laplacian 0.5047462E-01 (-1/4)Del**2(Rho)) -0.1261866E-01 Diamond 0.1727207E-02 Metallicity 0.7620655E+00 Ellipticity -0.1274493E+01 Gb(Abramov) 0.1001514E-01 Vb(Abramov) -0.7411633E-02 Hb(Abramov) 0.2603511E-02 Ex_ueg -0.1844223E-02 Ec_ueg -0.4214116E-03 Delta_ex -0.2400982E-02 Delta_ec 0.5948891E-03 Delta_et -0.4430956E-02 Pxc 0.4376300E+01 Qxc -0.4036017E+01 3,+1 98 3 +1 1.257253 2.177325 -1.039693 Rho 0.2585642E-01 |GRAD(Rho)| 0.6253361E-14 GRAD(Rho)x 0.4071123E-14 GRAD(Rho)y 0.3716694E-14 GRAD(Rho)z 0.2952400E-14 Laplacian 0.9655565E-01 (-1/4)Del**2(Rho)) -0.2413891E-01 Diamond 0.1340414E-01 Metallicity 0.1613552E+01 Ellipticity -0.6281157E+01 Gb(Abramov) 0.2258417E-01 Vb(Abramov) -0.2102943E-01 Hb(Abramov) 0.1554740E-02 Ex_ueg -0.5646894E-02 Ec_ueg -0.1131930E-02 Delta_ex -0.6077873E-02 Delta_ec 0.1671158E-02 Delta_et -0.1486654E-01 Pxc 0.4988732E+01 Qxc -0.3636924E+01 3,+1 99 3 +1 2.150035 1.511767 -1.029963 Rho 0.2023745E-01 |GRAD(Rho)| 0.1149602E-15 GRAD(Rho)x 0.3943413E-17 GRAD(Rho)y 0.9494848E-16 GRAD(Rho)z 0.6469217E-16 Laplacian 0.6718751E-01 (-1/4)Del**2(Rho)) -0.1679688E-01 Diamond 0.5314040E-02 Metallicity 0.1541407E+01 Ellipticity -0.2309783E+01 Gb(Abramov) 0.1551306E-01 Vb(Abramov) -0.1422924E-01 Hb(Abramov) 0.1283820E-02 Ex_ueg -0.4073108E-02 Ec_ueg -0.8520539E-03 Delta_ex -0.3770002E-02 Delta_ec 0.8170727E-03 Delta_et -0.6961553E-02 Pxc 0.4780341E+01 Qxc -0.4614035E+01 3,+1 100 3 +1 1.260431 -2.265743 1.101715 Rho 0.2692935E-01 |GRAD(Rho)| 0.3047514E-15 GRAD(Rho)x 0.1770532E-15 GRAD(Rho)y -0.1435170E-15 GRAD(Rho)z -0.2023078E-15 Laplacian 0.9969321E-01 (-1/4)Del**2(Rho)) -0.2492330E-01 Diamond 0.1366485E-01 Metallicity 0.1672338E+01 Ellipticity -0.3771493E+01 Gb(Abramov) 0.2356223E-01 Vb(Abramov) -0.2220116E-01 Hb(Abramov) 0.1361069E-02 Ex_ueg -0.5961464E-02 Ec_ueg -0.1186336E-02 Delta_ex -0.6248363E-02 Delta_ec 0.1554847E-02 Delta_et -0.1399948E-01 Pxc 0.5025105E+01 Qxc -0.4018636E+01 3,+1 101 3 -1 1.558155 -1.851316 0.455380 Rho 0.4791902E-01 |GRAD(Rho)| 0.1243528E-15 GRAD(Rho)x -0.5976834E-16 GRAD(Rho)y 0.9545299E-16 GRAD(Rho)z 0.5272653E-16 Laplacian 0.1954987E+00 (-1/4)Del**2(Rho)) -0.4887467E-01 Diamond 0.9865164E-01 Metallicity 0.2228346E+01 Ellipticity 0.1264979E-01 Gb(Abramov) 0.5073472E-01 Vb(Abramov) -0.5259478E-01 Hb(Abramov) -0.1860054E-02 Ex_ueg -0.1285471E-01 Ec_ueg -0.2300172E-02 Delta_ex -0.1615414E-01 Delta_ec 0.6243323E-02 Delta_et -0.6520914E-01 Pxc 0.5588587E+01 Qxc -0.2587427E+01 3,-1 102 3 -1 1.217892 -1.876527 3.342554 Rho 0.1654277E+00 |GRAD(Rho)| 0.8001699E-15 GRAD(Rho)x -0.7182297E-15 GRAD(Rho)y -0.3258570E-15 GRAD(Rho)z -0.1350374E-15 Laplacian 0.6404591E+00 (-1/4)Del**2(Rho)) -0.1601148E+00 Diamond 0.1484080E+01 Metallicity 0.5363752E+01 Ellipticity 0.5563217E-01 Gb(Abramov) 0.2498792E+00 Vb(Abramov) -0.3396435E+00 Hb(Abramov) -0.8976439E-01 Ex_ueg -0.6707014E-01 Ec_ueg -0.9438313E-02 Delta_ex -0.7067753E-01 Delta_ec 0.1623236E-01 Delta_et -0.2198667E+00 Pxc 0.7106158E+01 Qxc -0.4354113E+01 3,-1 103 3 +1 1.480824 -1.143203 2.303008 Rho 0.2036392E-01 |GRAD(Rho)| 0.1370900E-12 GRAD(Rho)x -0.1112297E-12 GRAD(Rho)y -0.7615328E-13 GRAD(Rho)z -0.2494583E-13 Laplacian 0.6856593E-01 (-1/4)Del**2(Rho)) -0.1714148E-01 Diamond 0.5956880E-02 Metallicity 0.1526185E+01 Ellipticity -0.2794344E+01 Gb(Abramov) 0.1578783E-01 Vb(Abramov) -0.1443419E-01 Hb(Abramov) 0.1353648E-02 Ex_ueg -0.4107085E-02 Ec_ueg -0.8582544E-03 Delta_ex -0.3923475E-02 Delta_ec 0.9579362E-03 Delta_et -0.8110370E-02 Pxc 0.4785394E+01 Qxc -0.4095758E+01 3,+1 104 3 -1 1.697486 2.969465 0.673436 Rho 0.1338783E+00 |GRAD(Rho)| 0.1582700E-15 GRAD(Rho)x -0.9912318E-16 GRAD(Rho)y 0.9429171E-16 GRAD(Rho)z 0.7958044E-16 Laplacian 0.5662316E+00 (-1/4)Del**2(Rho)) -0.1415579E+00 Diamond 0.1027449E+01 Metallicity 0.4263860E+01 Ellipticity 0.1006402E-01 Gb(Abramov) 0.1949691E+00 Vb(Abramov) -0.2483803E+00 Hb(Abramov) -0.5341120E-01 Ex_ueg -0.5058232E-01 Ec_ueg -0.7419626E-02 Delta_ex -0.5945136E-01 Delta_ec 0.1531952E-01 Delta_et -0.2015844E+00 Pxc 0.6817368E+01 Qxc -0.3880758E+01 3,-1 105 3 -1 1.904507 -0.522608 1.702455 Rho 0.3714950E-01 |GRAD(Rho)| 0.3801301E-16 GRAD(Rho)x 0.1326327E-16 GRAD(Rho)y -0.1810099E-16 GRAD(Rho)z -0.3068271E-16 Laplacian 0.1408571E+00 (-1/4)Del**2(Rho)) -0.3521427E-01 Diamond 0.4559535E-01 Metallicity 0.2023436E+01 Ellipticity 0.1289200E+00 Gb(Abramov) 0.3535182E-01 Vb(Abramov) -0.3548937E-01 Hb(Abramov) -0.1375474E-03 Ex_ueg -0.9154945E-02 Ec_ueg -0.1717950E-02 Delta_ex -0.1063407E-01 Delta_ec 0.3967422E-02 Delta_et -0.3863170E-01 Pxc 0.5328992E+01 Qxc -0.2680347E+01 3,-1 106 3 -1 1.783443 3.152630 -0.859573 Rho 0.1641933E+00 |GRAD(Rho)| 0.9348807E-16 GRAD(Rho)x 0.7003946E-16 GRAD(Rho)y -0.3270225E-16 GRAD(Rho)z 0.5258381E-16 Laplacian 0.6343656E+00 (-1/4)Del**2(Rho)) -0.1585914E+00 Diamond 0.1449456E+01 Metallicity 0.5348097E+01 Ellipticity 0.2987667E-01 Gb(Abramov) 0.2470880E+00 Vb(Abramov) -0.3355845E+00 Hb(Abramov) -0.8849656E-01 Ex_ueg -0.6640370E-01 Ec_ueg -0.9358196E-02 Delta_ex -0.6981050E-01 Delta_ec 0.1599265E-01 Delta_et -0.2161144E+00 Pxc 0.7095780E+01 Qxc -0.4365161E+01 3,-1 107 3 -1 2.034644 0.522166 2.822847 Rho 0.1163942E+00 |GRAD(Rho)| 0.6503244E-14 GRAD(Rho)x -0.5981855E-14 GRAD(Rho)y 0.1771383E-15 GRAD(Rho)z -0.2545232E-14 Laplacian 0.4731082E+00 (-1/4)Del**2(Rho)) -0.1182770E+00 Diamond 0.7071271E+00 Metallicity 0.4041458E+01 Ellipticity 0.3806000E-01 Gb(Abramov) 0.1585200E+00 Vb(Abramov) -0.1987629E+00 Hb(Abramov) -0.4024293E-01 Ex_ueg -0.4197203E-01 Ec_ueg -0.6328433E-02 Delta_ex -0.4779057E-01 Delta_ec 0.1276370E-01 Delta_et -0.1631840E+00 Pxc 0.6632294E+01 Qxc -0.3744258E+01 3,-1 108 3 -1 1.778761 0.629502 -1.664207 Rho 0.4380819E-01 |GRAD(Rho)| 0.1005898E-12 GRAD(Rho)x 0.8368861E-13 GRAD(Rho)y -0.1358652E-13 GRAD(Rho)z -0.5412881E-13 Laplacian 0.1856359E+00 (-1/4)Del**2(Rho)) -0.4640898E-01 Diamond 0.8325990E-01 Metallicity 0.2020893E+01 Ellipticity 0.3435996E-01 Gb(Abramov) 0.4657059E-01 Vb(Abramov) -0.4673219E-01 Hb(Abramov) -0.1616052E-03 Ex_ueg -0.1140579E-01 Ec_ueg -0.2075586E-02 Delta_ex -0.1502061E-01 Delta_ec 0.5962071E-02 Delta_et -0.6079064E-01 Pxc 0.5495216E+01 Qxc -0.2519361E+01 3,-1 109 3 -1 2.041045 0.822142 -2.985830 Rho 0.1434322E+00 |GRAD(Rho)| 0.1381875E-15 GRAD(Rho)x 0.1150881E-15 GRAD(Rho)y -0.7644981E-16 GRAD(Rho)z 0.2439455E-17 Laplacian 0.5691492E+00 (-1/4)Del**2(Rho)) -0.1422873E+00 Diamond 0.1103331E+01 Metallicity 0.4758441E+01 Ellipticity 0.5315484E-01 Gb(Abramov) 0.2077025E+00 Vb(Abramov) -0.2731176E+00 Hb(Abramov) -0.6541517E-01 Ex_ueg -0.5545156E-01 Ec_ueg -0.8024412E-02 Delta_ex -0.6056356E-01 Delta_ec 0.1479629E-01 Delta_et -0.1961332E+00 Pxc 0.6910358E+01 Qxc -0.4093158E+01 3,-1 110 3 -1 2.647484 -0.534709 -1.877654 Rho 0.1436126E+00 |GRAD(Rho)| 0.2192480E-15 GRAD(Rho)x -0.2577013E-16 GRAD(Rho)y -0.2095492E-15 GRAD(Rho)z -0.5911612E-16 Laplacian 0.6123545E+00 (-1/4)Del**2(Rho)) -0.1530886E+00 Diamond 0.1177803E+01 Metallicity 0.4431982E+01 Ellipticity 0.3615538E-01 Gb(Abramov) 0.2151401E+00 Vb(Abramov) -0.2771915E+00 Hb(Abramov) -0.6205146E-01 Ex_ueg -0.5554461E-01 Ec_ueg -0.8035892E-02 Delta_ex -0.6506409E-01 Delta_ec 0.1570582E-01 Delta_et -0.2077828E+00 Pxc 0.6912065E+01 Qxc -0.4142673E+01 3,-1 111 3 -1 2.969616 -3.332032 -0.118698 Rho 0.1973017E+00 |GRAD(Rho)| 0.1266037E-12 GRAD(Rho)x -0.1021854E-12 GRAD(Rho)y 0.7469502E-13 GRAD(Rho)z 0.2700981E-14 Laplacian 0.7335918E+00 (-1/4)Del**2(Rho)) -0.1833979E+00 Diamond 0.2069736E+01 Metallicity 0.6281214E+01 Ellipticity 0.2265028E-01 Gb(Abramov) 0.3142589E+00 Vb(Abramov) -0.4451199E+00 Hb(Abramov) -0.1308610E+00 Ex_ueg -0.8483199E-01 Ec_ueg -0.1153765E-01 Delta_ex -0.8439814E-01 Delta_ec 0.1737816E-01 Delta_et -0.2387987E+00 Pxc 0.7352622E+01 Qxc -0.4856565E+01 3,-1 112 3 -1 2.376705 -1.994130 -0.783881 Rho 0.1103193E+00 |GRAD(Rho)| 0.5925456E-12 GRAD(Rho)x -0.2467371E-13 GRAD(Rho)y -0.3574412E-12 GRAD(Rho)z 0.4719505E-12 Laplacian 0.4752467E+00 (-1/4)Del**2(Rho)) -0.1188117E+00 Diamond 0.6905343E+00 Metallicity 0.3679427E+01 Ellipticity 0.2969116E-01 Gb(Abramov) 0.1520676E+00 Vb(Abramov) -0.1853235E+00 Hb(Abramov) -0.3325592E-01 Ex_ueg -0.3907694E-01 Ec_ueg -0.5954292E-02 Delta_ex -0.4777041E-01 Delta_ec 0.1363872E-01 Delta_et -0.1736216E+00 Pxc 0.6562819E+01 Qxc -0.3502560E+01 3,-1 113 3 -1 2.727425 2.008336 0.571753 Rho 0.8553830E-01 |GRAD(Rho)| 0.1396732E-15 GRAD(Rho)x -0.2598697E-17 GRAD(Rho)y 0.9553854E-16 GRAD(Rho)z -0.1018540E-15 Laplacian 0.3751079E+00 (-1/4)Del**2(Rho)) -0.9377697E-01 Diamond 0.4025076E+00 Metallicity 0.3050642E+01 Ellipticity 0.4281019E-01 Gb(Abramov) 0.1101980E+00 Vb(Abramov) -0.1266190E+00 Hb(Abramov) -0.1642101E-01 Ex_ueg -0.2783551E-01 Ec_ueg -0.4457687E-02 Delta_ex -0.3560452E-01 Delta_ec 0.1142759E-01 Delta_et -0.1379856E+00 Pxc 0.6244384E+01 Qxc -0.3115664E+01 3,-1 114 3 -1 2.983666 2.226495 -0.797857 Rho 0.9596237E-01 |GRAD(Rho)| 0.3266116E-16 GRAD(Rho)x -0.1118083E-16 GRAD(Rho)y -0.9791701E-17 GRAD(Rho)z 0.2908372E-16 Laplacian 0.3979125E+00 (-1/4)Del**2(Rho)) -0.9947812E-01 Diamond 0.4843178E+00 Metallicity 0.3483324E+01 Ellipticity 0.2110715E-01 Gb(Abramov) 0.1240712E+00 Vb(Abramov) -0.1486642E+00 Hb(Abramov) -0.2459305E-01 Ex_ueg -0.3244788E-01 Ec_ueg -0.5081123E-02 Delta_ex -0.3865112E-01 Delta_ec 0.1162999E-01 Delta_et -0.1437695E+00 Pxc 0.6385967E+01 Qxc -0.3323400E+01 3,-1 115 3 -1 3.187226 -0.812572 1.930098 Rho 0.1985585E+00 |GRAD(Rho)| 0.7177642E-15 GRAD(Rho)x 0.1073631E-15 GRAD(Rho)y 0.7093393E-15 GRAD(Rho)z -0.2228035E-16 Laplacian 0.7414263E+00 (-1/4)Del**2(Rho)) -0.1853566E+00 Diamond 0.2098379E+01 Metallicity 0.6280961E+01 Ellipticity 0.4008350E-01 Gb(Abramov) 0.3176073E+00 Vb(Abramov) -0.4498580E+00 Hb(Abramov) -0.1322507E+00 Ex_ueg -0.8555324E-01 Ec_ueg -0.1162161E-01 Delta_ex -0.8537251E-01 Delta_ec 0.1741743E-01 Delta_et -0.2390748E+00 Pxc 0.7361565E+01 Qxc -0.4901556E+01 3,-1 116 3 -1 3.414198 0.101433 -3.073835 Rho 0.2006497E+00 |GRAD(Rho)| 0.2872520E-15 GRAD(Rho)x 0.2623769E-16 GRAD(Rho)y -0.1196417E-15 GRAD(Rho)z -0.2598291E-15 Laplacian 0.7666375E+00 (-1/4)Del**2(Rho)) -0.1916594E+00 Diamond 0.2180418E+01 Metallicity 0.6181408E+01 Ellipticity 0.4973132E-02 Gb(Abramov) 0.3252271E+00 Vb(Abramov) -0.4587947E+00 Hb(Abramov) -0.1335677E+00 Ex_ueg -0.8675673E-01 Ec_ueg -0.1176151E-01 Delta_ex -0.8839822E-01 Delta_ec 0.1775540E-01 Delta_et -0.2432196E+00 Pxc 0.7376327E+01 Qxc -0.4978666E+01 3,-1 117 3 -1 2.949843 0.662490 1.764407 Rho 0.1806292E+00 |GRAD(Rho)| 0.1484374E-15 GRAD(Rho)x 0.5751015E-16 GRAD(Rho)y -0.7462021E-16 GRAD(Rho)z 0.1147086E-15 Laplacian 0.7386156E+00 (-1/4)Del**2(Rho)) -0.1846539E+00 Diamond 0.1855329E+01 Metallicity 0.5384862E+01 Ellipticity 0.2004941E-01 Gb(Abramov) 0.2888252E+00 Vb(Abramov) -0.3929966E+00 Hb(Abramov) -0.1041713E+00 Ex_ueg -0.7541116E-01 Ec_ueg -0.1043228E-01 Delta_ex -0.8295159E-01 Delta_ec 0.1765284E-01 Delta_et -0.2397392E+00 Pxc 0.7228638E+01 Qxc -0.4699049E+01 3,-1 118 3 -1 3.552486 0.153786 3.053671 Rho 0.2253983E+00 |GRAD(Rho)| 0.1358599E-15 GRAD(Rho)x 0.9405454E-16 GRAD(Rho)y 0.9356665E-16 GRAD(Rho)z 0.2927346E-16 Laplacian 0.8225893E+00 (-1/4)Del**2(Rho)) -0.2056473E+00 Diamond 0.2703676E+01 Metallicity 0.6993281E+01 Ellipticity 0.6114782E-02 Gb(Abramov) 0.3767898E+00 Vb(Abramov) -0.5479323E+00 Hb(Abramov) -0.1711425E+00 Ex_ueg -0.1013100E+00 Ec_ueg -0.1343558E-01 Delta_ex -0.9781027E-01 Delta_ec 0.1857069E-01 Delta_et -0.2568091E+00 Pxc 0.7540429E+01 Qxc -0.5266917E+01 3,-1 119 3 -1 3.175007 1.071646 -1.875598 Rho 0.1650325E+00 |GRAD(Rho)| 0.1310009E-15 GRAD(Rho)x -0.5664956E-17 GRAD(Rho)y -0.8651933E-16 GRAD(Rho)z -0.9820161E-16 Laplacian 0.6360929E+00 (-1/4)Del**2(Rho)) -0.1590232E+00 Diamond 0.1467985E+01 Metallicity 0.5379085E+01 Ellipticity 0.3929258E-01 Gb(Abramov) 0.2485821E+00 Vb(Abramov) -0.3381409E+00 Hb(Abramov) -0.8955883E-01 Ex_ueg -0.6685661E-01 Ec_ueg -0.9412655E-02 Delta_ex -0.7013877E-01 Delta_ec 0.1610405E-01 Delta_et -0.2179911E+00 Pxc 0.7102843E+01 Qxc -0.4355349E+01 3,-1 120 3 -1 -1.847504 -0.752373 2.671833 Rho 0.1263904E+00 |GRAD(Rho)| 0.1597395E-15 GRAD(Rho)x 0.1183136E-15 GRAD(Rho)y -0.1052489E-15 GRAD(Rho)z -0.2100642E-16 Laplacian 0.5313001E+00 (-1/4)Del**2(Rho)) -0.1328250E+00 Diamond 0.9067754E+00 Metallicity 0.4128545E+01 Ellipticity 0.3756032E-01 Gb(Abramov) 0.1799457E+00 Vb(Abramov) -0.2270663E+00 Hb(Abramov) -0.4712066E-01 Ex_ueg -0.4684580E-01 Ec_ueg -0.6949768E-02 Delta_ex -0.5511039E-01 Delta_ec 0.1472961E-01 Delta_et -0.1922126E+00 Pxc 0.6740628E+01 Qxc -0.3741470E+01 3,-1 121 3 -1 -2.045580 0.743346 2.973555 Rho 0.1269715E+00 |GRAD(Rho)| 0.1006184E-15 GRAD(Rho)x -0.4427611E-16 GRAD(Rho)y -0.6190794E-16 GRAD(Rho)z 0.6581107E-16 Laplacian 0.5143972E+00 (-1/4)Del**2(Rho)) -0.1285993E+00 Diamond 0.8691060E+00 Metallicity 0.4296929E+01 Ellipticity 0.2265190E-01 Gb(Abramov) 0.1778299E+00 Vb(Abramov) -0.2270604E+00 Hb(Abramov) -0.4923057E-01 Ex_ueg -0.4713316E-01 Ec_ueg -0.6986094E-02 Delta_ex -0.5324519E-01 Delta_ec 0.1394210E-01 Delta_et -0.1815619E+00 Pxc 0.6746712E+01 Qxc -0.3819021E+01 3,-1 122 3 -1 -0.573123 -0.593817 -0.399784 Rho 0.1974123E+00 |GRAD(Rho)| 0.3923544E-15 GRAD(Rho)x 0.3087808E-15 GRAD(Rho)y 0.2151057E-15 GRAD(Rho)z 0.1110223E-15 Laplacian 0.5375811E+00 (-1/4)Del**2(Rho)) -0.1343953E+00 Diamond 0.1477828E+01 Metallicity 0.8579454E+01 Ellipticity 0.8641111E-02 Gb(Abramov) 0.2817699E+00 Vb(Abramov) -0.4291445E+00 Hb(Abramov) -0.1473746E+00 Ex_ueg -0.8489539E-01 Ec_ueg -0.1154504E-01 Delta_ex -0.6158071E-01 Delta_ec 0.1224075E-01 Delta_et -0.1665516E+00 Pxc 0.7353411E+01 Qxc -0.5030796E+01 3,-1 123 3 -1 0.255442 -3.051976 3.668413 Rho 0.2040490E+00 |GRAD(Rho)| 0.1738261E-12 GRAD(Rho)x 0.3586123E-13 GRAD(Rho)y 0.1158831E-12 GRAD(Rho)z -0.1245015E-12 Laplacian 0.7736124E+00 (-1/4)Del**2(Rho)) -0.1934031E+00 Diamond 0.2248391E+01 Metallicity 0.6299615E+01 Ellipticity 0.3744974E-02 Gb(Abramov) 0.3319962E+00 Vb(Abramov) -0.4705894E+00 Hb(Abramov) -0.1385931E+00 Ex_ueg -0.8872196E-01 Ec_ueg -0.1198944E-01 Delta_ex -0.8960863E-01 Delta_ec 0.1787238E-01 Delta_et -0.2452682E+00 Pxc 0.7400011E+01 Qxc -0.5013806E+01 3,-1 124 3 -1 0.603195 2.870043 -2.066089 Rho 0.7189437E-01 |GRAD(Rho)| 0.2267788E-13 GRAD(Rho)x 0.1114759E-13 GRAD(Rho)y -0.5850241E-14 GRAD(Rho)z 0.1886246E-13 Laplacian 0.2965488E+00 (-1/4)Del**2(Rho)) -0.7413720E-01 Diamond 0.2501602E+00 Metallicity 0.2888518E+01 Ellipticity 0.6294654E-02 Gb(Abramov) 0.8511591E-01 Vb(Abramov) -0.9609462E-01 Hb(Abramov) -0.1097871E-01 Ex_ueg -0.2207894E-01 Ec_ueg -0.3656791E-02 Delta_ex -0.2688147E-01 Delta_ec 0.8994008E-02 Delta_et -0.1040874E+00 Pxc 0.6037791E+01 Qxc -0.2988820E+01 3,-1 125 3 -1 0.597250 2.766381 2.038063 Rho 0.1315355E+00 |GRAD(Rho)| 0.1733002E-14 GRAD(Rho)x -0.1019123E-14 GRAD(Rho)y -0.3437870E-15 GRAD(Rho)z 0.1358858E-14 Laplacian 0.5522169E+00 (-1/4)Del**2(Rho)) -0.1380542E+00 Diamond 0.9807330E+00 Metallicity 0.4245300E+01 Ellipticity 0.2380705E-01 Gb(Abramov) 0.1897164E+00 Vb(Abramov) -0.2413786E+00 Hb(Abramov) -0.5166219E-01 Ex_ueg -0.4940554E-01 Ec_ueg -0.7272217E-02 Delta_ex -0.5773189E-01 Delta_ec 0.1499741E-01 Delta_et -0.1967556E+00 Pxc 0.6793739E+01 Qxc -0.3849457E+01 3,-1 126 3 -1 -3.297801 -0.176182 3.030194 Rho 0.2068252E+00 |GRAD(Rho)| 0.4459169E-15 GRAD(Rho)x 0.3698214E-15 GRAD(Rho)y 0.1939367E-16 GRAD(Rho)z -0.2483907E-15 Laplacian 0.7941535E+00 (-1/4)Del**2(Rho)) -0.1985384E+00 Diamond 0.2339527E+01 Metallicity 0.6276455E+01 Ellipticity 0.4034847E-02 Gb(Abramov) 0.3400451E+00 Vb(Abramov) -0.4815519E+00 Hb(Abramov) -0.1415067E+00 Ex_ueg -0.9033505E-01 Ec_ueg -0.1217606E-01 Delta_ex -0.9226602E-01 Delta_ec 0.1820448E-01 Delta_et -0.2498007E+00 Pxc 0.7419072E+01 Qxc -0.5068314E+01 3,-1 127 3 -1 1.560028 -3.256736 -0.670419 Rho 0.2013551E+00 |GRAD(Rho)| 0.1378446E-15 GRAD(Rho)x 0.6017322E-17 GRAD(Rho)y -0.8386304E-16 GRAD(Rho)z -0.1092334E-15 Laplacian 0.7614145E+00 (-1/4)Del**2(Rho)) -0.1903536E+00 Diamond 0.2196756E+01 Metallicity 0.6260321E+01 Ellipticity 0.6479194E-02 Gb(Abramov) 0.3255149E+00 Vb(Abramov) -0.4606761E+00 Hb(Abramov) -0.1351612E+00 Ex_ueg -0.8716364E-01 Ec_ueg -0.1180875E-01 Delta_ex -0.8802312E-01 Delta_ec 0.1788208E-01 Delta_et -0.2459542E+00 Pxc 0.7381274E+01 Qxc -0.4922420E+01 3,-1 128 3 -1 1.673557 -3.145337 0.820730 Rho 0.9940208E-01 |GRAD(Rho)| 0.4752010E-15 GRAD(Rho)x 0.2541912E-15 GRAD(Rho)y 0.6936861E-16 GRAD(Rho)z -0.3954627E-15 Laplacian 0.4058104E+00 (-1/4)Del**2(Rho)) -0.1014526E+00 Diamond 0.5185214E+00 Metallicity 0.3622006E+01 Ellipticity 0.1038588E-01 Gb(Abramov) 0.1288787E+00 Vb(Abramov) -0.1563048E+00 Hb(Abramov) -0.2742612E-01 Ex_ueg -0.3400784E-01 Ec_ueg -0.5288847E-02 Delta_ex -0.3979291E-01 Delta_ec 0.1186795E-01 Delta_et -0.1478979E+00 Pxc 0.6430105E+01 Qxc -0.3352971E+01 3,-1 129 3 -1 3.000593 3.540989 0.050236 Rho 0.2028252E+00 |GRAD(Rho)| 0.6713784E-15 GRAD(Rho)x 0.4703811E-15 GRAD(Rho)y 0.4672369E-15 GRAD(Rho)z 0.1057368E-15 Laplacian 0.7569560E+00 (-1/4)Del**2(Rho)) -0.1892390E+00 Diamond 0.2196785E+01 Metallicity 0.6374004E+01 Ellipticity 0.3814721E-02 Gb(Abramov) 0.3271943E+00 Vb(Abramov) -0.4651497E+00 Hb(Abramov) -0.1379553E+00 Ex_ueg -0.8801314E-01 Ec_ueg -0.1190730E-01 Delta_ex -0.8762856E-01 Delta_ec 0.1766721E-01 Delta_et -0.2428790E+00 Pxc 0.7391528E+01 Qxc -0.4959954E+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 91 77 102 85 123 111 82 72 74 79 88 124 71 80 89 125 64 66 101 112 127 84 128 129 96 113 104 114 106 43 51 54 45 55 61 47 120 44 121 126 105 118 117 107 115 94 108 110 116 119 109 69 92 58 76 122 53 81 95 70 49 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 13 14 14 14 14 15 15 16 17 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 39 23 28 36 42 36 40 36 42 2.476180 1.954881 1.883173 1.909814 1.805258 1.819713 2.372762 1.818929 2.163824 1.821522 2.040605 2.219970 2.444375 1.804607 1.905110 1.964713 2.007413 2.230306 2.384091 2.027108 1.810855 2.448575 2.079852 1.808268 2.540825 2.127640 1.954881 2.093297 1.890370 1.763098 2.552049 1.831493 1.841958 1.809121 2.338279 1.998423 1.976619 2.205251 1.988875 1.800011 2.500768 1.767547 1.842705 2.018691 1.819323 2.086992 2.416066 1.925887 1.811555 1.884630 1.938567 1.745431 2.594209 3.250888 3.346836 1.671931 1.663622 1.730366 2.596063 1.743186 1.008989 2.478245 1.955006 1.883347 1.910067 1.805266 1.819735 2.374977 1.818979 2.163976 1.821551 2.040952 2.220214 2.446256 1.804610 1.905522 1.964883 2.007727 2.230908 2.386090 2.027202 1.810871 2.448834 2.080276 1.808288 2.542401 2.127874 1.955107 2.093751 1.890594 1.763110 2.553649 1.831599 1.842219 1.809280 2.340075 1.999322 1.976748 2.205837 1.989193 1.800028 2.502032 1.767559 1.842989 2.018958 1.819609 2.087630 2.418035 1.926017 1.811560 1.884750 1.938868 1.745466 2.600348 3.281474 3.420504 1.671948 1.666487 1.730407 2.613430 1.743242 1.009032 29 27 26 25 22 24 30 24 28 25 26 25 33 24 28 25 27 30 28 26 22 28 25 24 29 26 27 27 25 25 32 23 24 25 30 28 24 28 24 22 29 23 24 25 24 25 28 25 23 25 25 26 29 35 37 22 26 24 29 26 19 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 Ta O Ta Ta Ta Ta W O O Ta W 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 H 2.1667 -1.0025 2.0169 2.1714 2.0202 2.1123 2.3862 -0.9795 -0.8774 2.1761 2.3430 2.1492 -1.0820 -0.9209 -1.1000 -1.0964 -0.9012 -1.0635 -0.8880 -0.9675 -0.9682 -1.0125 -0.9809 -1.0587 -0.9863 -0.9976 -1.0295 -0.9828 -0.9390 -0.9883 -1.0461 -0.9912 -1.0337 -1.0692 -1.0628 2.2143 -0.9558 -0.9646 -1.0624 -1.0396 -0.9754 0.2674 2.1214 1.9329 2.1618 2.1251 2.1694 2.1449 2.1012 1.9359 1.9552 2.1365 2.1395 2.1248 1.9326 1.9510 1.9335 1.9288 1.8654 1.9184 1.9506 1.9323 1.9372 1.9253 1.9305 1.9187 1.9326 1.9318 1.9215 1.9316 1.9470 1.9368 1.9329 1.9419 1.9346 1.9272 1.9265 0.8887 1.9387 1.9498 1.9283 1.9295 1.9391 0.5628 6.0900 5.0461 6.1077 6.0843 6.1042 6.0956 6.1184 5.0189 4.8902 6.0893 6.1149 6.0917 5.1169 4.9365 5.1333 5.1350 5.0091 5.1226 4.9067 5.0063 5.0059 5.0601 5.0265 5.1174 5.0256 5.0426 5.0830 5.0268 4.9634 5.0268 5.0848 5.0189 5.0690 5.1155 5.1119 1.3430 4.9916 4.9812 5.1074 5.0865 5.0108 0.1698 2.5900 0.0234 2.6810 2.5852 2.6746 2.6137 3.3668 0.0247 0.0320 2.5643 3.3736 2.6020 0.0325 0.0335 0.0332 0.0326 0.0268 0.0225 0.0308 0.0288 0.0251 0.0272 0.0239 0.0227 0.0281 0.0232 0.0250 0.0245 0.0286 0.0247 0.0285 0.0305 0.0301 0.0264 0.0244 10.5540 0.0255 0.0337 0.0267 0.0235 0.0255 0.0000 14.0319 0.0000 14.0326 14.0340 14.0315 14.0335 14.0273 0.0000 0.0000 14.0339 14.0290 14.0322 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 Ta O Ta Ta Ta Ta W O O Ta W 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 H 2.275200 -1.105494 2.312944 2.344378 2.300366 2.331552 2.401215 -1.078804 -0.932528 2.360081 2.466417 2.271273 -1.105899 -0.960983 -1.108475 -1.111047 -0.744775 -1.093698 -0.946086 -1.005887 -1.062184 -1.042013 -1.084987 -1.081620 -1.010760 -1.110639 -1.061922 -1.082271 -0.998272 -1.088151 -1.055876 -1.003178 -1.034887 -1.087837 -1.084120 2.281622 -1.047003 -0.970911 -1.080815 -1.094504 -1.068579 -0.000843 1.803857 -1.055135 1.859613 1.829510 1.849960 1.834267 1.897407 -1.029658 -0.837316 1.872340 1.926106 1.800991 -0.739551 -0.827268 -0.736915 -0.742935 -0.939226 -0.818752 -0.868614 -0.764529 -1.011632 -0.794395 -1.035968 -0.818060 -0.761656 -1.060236 -0.800648 -1.039298 -0.854525 -1.032533 -0.902878 -0.836649 -0.884878 -0.920835 -0.913128 1.736679 -0.975731 -0.824313 -0.909145 -0.943874 -1.010655 0.280206 1.938392 -1.048862 1.961347 1.941406 1.947785 1.939112 1.988262 -1.003930 -0.825468 1.968196 2.022006 1.945721 -0.816440 -0.872142 -0.829167 -0.825201 -0.996795 -0.928893 -0.836495 -0.850082 -0.982255 -0.883169 -1.034517 -0.932987 -0.848643 -1.051200 -0.898621 -1.036070 -0.876896 -1.031383 -0.921903 -0.854978 -0.904379 -0.972066 -0.994364 1.726324 -0.958550 -0.823740 -0.958359 -0.991502 -1.002775 0.413282 -28.01206994 -17.51958594 -15.94541061 36.68607465 22.63669708 43.37091427 45.51428956 -12.42842253 53.30419666 -10.20827455 -277.2849 336.5953 11.8475 -353.0982 -100.0879 -382.0282 Jun21-2024 02:06:24 Nodes: 1 Procs: 1 Jun21-2024 02:06:26 Nodes: 1 Procs: 1 0 Jun21-2024 02:06:29 Nodes: 1 Procs: 1 Jun21-2024 02:06:31 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 02:06:35 Nodes: 1 Procs: 1 Jun21-2024 02:06:38 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 02:06:41 Nodes: 1 Procs: 1 Jun21-2024 02:06:44 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun21-2024 02:06:47 Nodes: 1 Procs: 1 Jun21-2024 02:06:49 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun21-2024 02:06:53 Nodes: 1 Procs: 5 *** (NO TITLE) *** -9 -13.56890455 -13.80749345 -13.86596954 -13.86906402 -13.92145020 -13.95271201 -13.97375067 -13.99047857 -13.99805484 -14.00520315 -14.00819402 -14.01278628 -14.01378839 -14.01461175 -14.01695509 -14.01730935 -14.01845531 -14.01870222 -14.01916335 -14.01952551 -14.01996776 -14.02014989 -14.02031043 -14.02037491 -14.02041261 -14.02044202 -14.02005176 -13.97139220 -14.00085573 -14.01257909 -14.01133834 -14.02080073 -14.01718025 -14.02182214 -14.02259185 -14.02301634 -14.02339297 -14.02680849 -14.02933921 -14.03105509 -14.03390451 -14.03651211 -14.03699714 -14.03768861 -14.03783600 -14.03809980 -14.03827604 -14.03842504 -14.03856745 -14.03870689 -14.03875630 -14.03885109 -14.03889659 -14.03892700 -14.03897716 -14.03901866 -14.03907441 -14.03914455 -14.03918427 -14.03921739 -14.03924072 -14.03926020 -14.03928004 GEOMETRY CONVERGED