ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 18:04:25 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.53 0.04 7.27 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Jun19-2024 18:04:25 Nodes: 1 Procs: 1 Jun19-2024 18:04:31 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 18:04:39 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.05 3.15 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun19-2024 18:04:25 Nodes: 1 Procs: 1 Jun19-2024 18:04:31 Nodes: 1 Procs: 1 0 Jun19-2024 18:04:39 Nodes: 1 Procs: 1 Jun19-2024 18:04:42 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 18:04:47 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.06 4.16 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun19-2024 18:04:25 Nodes: 1 Procs: 1 Jun19-2024 18:04:31 Nodes: 1 Procs: 1 0 Jun19-2024 18:04:39 Nodes: 1 Procs: 1 Jun19-2024 18:04:42 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 18:04:47 Nodes: 1 Procs: 1 Jun19-2024 18:04:51 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 18:04:55 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.81 0.05 3.37 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun19-2024 18:04:25 Nodes: 1 Procs: 1 Jun19-2024 18:04:31 Nodes: 1 Procs: 1 0 Jun19-2024 18:04:39 Nodes: 1 Procs: 1 Jun19-2024 18:04:42 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 18:04:47 Nodes: 1 Procs: 1 Jun19-2024 18:04:51 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 18:04:55 Nodes: 1 Procs: 1 Jun19-2024 18:04:58 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 18:05:03 Hydrogen (TZP) c11-12 c11-12 c11-12 c11-12 c11-12 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 2.17 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun19-2024 18:04:25 Nodes: 1 Procs: 1 Jun19-2024 18:04:31 Nodes: 1 Procs: 1 0 Jun19-2024 18:04:39 Nodes: 1 Procs: 1 Jun19-2024 18:04:42 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 18:04:47 Nodes: 1 Procs: 1 Jun19-2024 18:04:51 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 18:04:55 Nodes: 1 Procs: 1 Jun19-2024 18:04:58 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun19-2024 18:05:03 Nodes: 1 Procs: 1 Jun19-2024 18:05:05 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 18:05:09 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2213.8945999999987 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219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -6.101 -6.043 -5.974 -5.931 -5.865 -5.858 -5.819 -5.750 -5.705 -5.675 -2.740 -2.185 -2.049 -2.036 -1.861 -1.745 -1.652 -1.632 -1.516 -1.372 A A A A A A A A A A A A A A A A A A A A 0.00000000048888 0.00036486704609 0.00028464585955 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 73 73 73 73 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 74 74 74 74 74 33 1 0.352607 -2.380127 2.856582 2.418601 2.778034 -0.020965 -2.431213 2.831987 0.407798 2.789308 -0.090934 2.444502 3.523137 -3.879557 -0.283702 3.549566 4.139375 0.200309 -3.665902 4.052273 -0.004421 0.878104 -1.048464 0.986433 -1.371363 -1.091812 -0.792096 0.857497 0.807304 -1.018018 -0.990883 0.989188 1.007188 -3.192788 -1.045766 1.043884 2.788330 -1.203541 -1.320136 4.139867 0.210116 3.574437 3.049395 1.324201 1.159116 0.248735 3.569807 4.088298 1.201764 1.149588 3.101655 -1.040289 0.856994 -3.220516 -1.260789 -1.232566 2.862683 -1.392381 2.725292 -1.257501 -0.278295 3.431538 -3.847579 1.072518 3.174840 1.365989 0.994681 -3.118701 -1.105037 3.395799 -1.549183 1.339463 4.071951 -0.097320 -3.558415 3.627301 1.663329 -1.420030 -3.468429 1.570441 1.474651 1.730307 -1.429034 3.670662 1.593845 1.189364 -3.399143 -1.553220 1.439549 3.433061 -3.834179 -0.232727 3.656912 -1.452194 3.610234 1.807009 1.381159 -3.483407 1.586619 1.346511 3.257329 -1.560719 -0.118422 -3.627737 4.047596 -0.095211 2.212028 -2.591853 -0.020346 2.474638 2.759383 2.271598 -2.688969 0.040034 -2.602416 0.095263 2.469523 2.865067 0.322218 -2.367029 -0.195821 -0.159669 -0.051189 -2.525007 -1.116115 0.261162 1 3 -3 0.352607 -2.380127 2.856582 Rho 0.3882647E+07 3,-3 2 3 -3 2.418601 2.778034 -0.020965 Rho 0.3882647E+07 3,-3 3 3 -3 -2.431213 2.831987 0.407798 Rho 0.3882647E+07 3,-3 4 3 -3 2.789308 -0.090934 2.444502 Rho 0.3882647E+07 3,-3 5 3 -3 3.523137 -3.879557 -0.283702 Rho 0.3192365E+03 3,-3 6 3 -3 3.549566 4.139375 0.200309 Rho 0.3191437E+03 3,-3 7 3 -3 -3.665902 4.052273 -0.004421 Rho 0.3191515E+03 3,-3 8 3 -3 0.878104 -1.048464 0.986433 Rho 0.3189826E+03 3,-3 9 3 -3 -1.371363 -1.091812 -0.792096 Rho 0.3192340E+03 3,-3 10 3 -3 0.857497 0.807304 -1.018018 Rho 0.3190485E+03 3,-3 11 3 -3 -0.990883 0.989188 1.007188 Rho 0.3189727E+03 3,-3 12 3 -3 -3.192788 -1.045766 1.043884 Rho 0.3187610E+03 3,-3 13 3 -3 2.788330 -1.203541 -1.320136 Rho 0.3188404E+03 3,-3 14 3 -3 4.139867 0.210116 3.574437 Rho 0.3191305E+03 3,-3 15 3 -3 3.049395 1.324201 1.159116 Rho 0.3188140E+03 3,-3 16 3 -3 0.248735 3.569807 4.088298 Rho 0.3192903E+03 3,-3 17 3 -3 1.201764 1.149588 3.101655 Rho 0.3189369E+03 3,-3 18 3 -3 -1.040289 0.856994 -3.220516 Rho 0.3192487E+03 3,-3 19 3 -3 -1.260789 -1.232566 2.862683 Rho 0.3187921E+03 3,-3 20 3 -3 -1.392381 2.725292 -1.257501 Rho 0.3187625E+03 3,-3 21 3 -3 -0.278295 3.431538 -3.847579 Rho 0.3192286E+03 3,-3 22 3 -3 1.072518 3.174840 1.365989 Rho 0.3188352E+03 3,-3 23 3 -3 0.994681 -3.118701 -1.105037 Rho 0.3192497E+03 3,-3 24 3 -3 3.395799 -1.549183 1.339463 Rho 0.3188997E+03 3,-3 25 3 -3 4.071951 -0.097320 -3.558415 Rho 0.3192760E+03 3,-3 26 3 -3 3.627301 1.663329 -1.420030 Rho 0.3190246E+03 3,-3 27 3 -3 -3.468429 1.570441 1.474651 Rho 0.3189068E+03 3,-3 28 3 -3 1.730307 -1.429034 3.670662 Rho 0.3189412E+03 3,-3 29 3 -3 1.593845 1.189364 -3.399143 Rho 0.3189859E+03 3,-3 30 3 -3 -1.553220 1.439549 3.433061 Rho 0.3189311E+03 3,-3 31 3 -3 -3.834179 -0.232727 3.656912 Rho 0.3193037E+03 3,-3 32 3 -3 -1.452194 3.610234 1.807009 Rho 0.3189515E+03 3,-3 33 3 -3 1.381159 -3.483407 1.586619 Rho 0.3188777E+03 3,-3 34 3 -3 1.346511 3.257329 -1.560719 Rho 0.3188979E+03 3,-3 35 3 -3 -0.118422 -3.627737 4.047596 Rho 0.3191402E+03 3,-3 36 3 -3 -0.095211 2.212028 -2.591853 Rho 0.4361414E+07 3,-3 37 3 -3 -0.020346 2.474638 2.759383 Rho 0.4361415E+07 3,-3 38 3 -3 2.271598 -2.688969 0.040034 Rho 0.4361414E+07 3,-3 39 3 -3 -2.602416 0.095263 2.469523 Rho 0.4361415E+07 3,-3 40 3 -3 2.865067 0.322218 -2.367029 Rho 0.4361416E+07 3,-3 41 3 -3 -0.195821 -0.159669 -0.051189 Rho 0.4276098E+05 3,-3 42 3 -3 -2.525007 -1.116115 0.261162 Rho 0.4083517E+00 3,-3 43 3 +1 -1.015291 1.405114 2.203760 Rho 0.2857612E-01 |GRAD(Rho)| 0.5382722E-14 GRAD(Rho)x 0.2873571E-14 GRAD(Rho)y 0.3577222E-14 GRAD(Rho)z 0.2814208E-14 Laplacian 0.1096088E+00 (-1/4)Del**2(Rho)) -0.2740220E-01 Diamond 0.1562805E-01 Metallicity 0.1679215E+01 Ellipticity -0.3041276E+01 Gb(Abramov) 0.2593717E-01 Vb(Abramov) -0.2447214E-01 Hb(Abramov) 0.1465034E-02 Ex_ueg -0.6452421E-02 Ec_ueg -0.1270398E-02 Delta_ex -0.6920035E-02 Delta_ec 0.1599397E-02 Delta_et -0.1461607E-01 Pxc 0.5079054E+01 Qxc -0.4326654E+01 3,+1 44 3 +1 -0.051577 2.859919 -0.022287 Rho 0.3554446E-02 |GRAD(Rho)| 0.5912428E-17 GRAD(Rho)x 0.5626299E-18 GRAD(Rho)y -0.3762459E-17 GRAD(Rho)z -0.4525942E-17 Laplacian 0.1347550E-01 (-1/4)Del**2(Rho)) -0.3368875E-02 Diamond 0.1609533E-03 Metallicity 0.4233389E+00 Ellipticity -0.1529641E+01 Gb(Abramov) 0.2483612E-02 Vb(Abramov) -0.1598350E-02 Hb(Abramov) 0.8852622E-03 Ex_ueg -0.4006338E-03 Ec_ueg -0.8524517E-04 Delta_ex -0.5730905E-03 Delta_ec 0.3256229E-03 Delta_et -0.1636442E-02 Pxc 0.4699783E+01 Qxc -0.1759982E+01 3,+1 45 3 -1 -0.767459 -0.612482 -0.410002 Rho 0.1970845E+00 |GRAD(Rho)| 0.1110622E-13 GRAD(Rho)x 0.8059525E-14 GRAD(Rho)y 0.6158268E-14 GRAD(Rho)z 0.4524159E-14 Laplacian 0.5282555E+00 (-1/4)Del**2(Rho)) -0.1320639E+00 Diamond 0.1451002E+01 Metallicity 0.8706761E+01 Ellipticity 0.1551049E-01 Gb(Abramov) 0.2796840E+00 Vb(Abramov) -0.4273042E+00 Hb(Abramov) -0.1476201E+00 Ex_ueg -0.8470747E-01 Ec_ueg -0.1152315E-01 Delta_ex -0.6049850E-01 Delta_ec 0.1205504E-01 Delta_et -0.1640788E+00 Pxc 0.7351070E+01 Qxc -0.5018524E+01 3,-1 46 3 +1 -2.180919 1.451395 1.109833 Rho 0.2838747E-01 |GRAD(Rho)| 0.9376439E-16 GRAD(Rho)x -0.8991784E-16 GRAD(Rho)y 0.1432143E-16 GRAD(Rho)z 0.2239284E-16 Laplacian 0.1080700E+00 (-1/4)Del**2(Rho)) -0.2701750E-01 Diamond 0.1546569E-01 Metallicity 0.1684428E+01 Ellipticity -0.3331137E+01 Gb(Abramov) 0.2559651E-01 Vb(Abramov) -0.2417551E-01 Hb(Abramov) 0.1420996E-02 Ex_ueg -0.6395688E-02 Ec_ueg -0.1260735E-02 Delta_ex -0.6828575E-02 Delta_ec 0.1609270E-02 Delta_et -0.1467940E-01 Pxc 0.5072984E+01 Qxc -0.4243275E+01 3,+1 47 3 +1 1.513407 -0.682170 -0.540796 Rho 0.8844909E-02 |GRAD(Rho)| 0.1547428E-16 GRAD(Rho)x 0.1394043E-16 GRAD(Rho)y -0.5060972E-17 GRAD(Rho)z -0.4416380E-17 Laplacian 0.3580809E-01 (-1/4)Del**2(Rho)) -0.8952022E-02 Diamond 0.9873115E-03 Metallicity 0.7279825E+00 Ellipticity -0.1404196E+01 Gb(Abramov) 0.7054167E-02 Vb(Abramov) -0.5156312E-02 Hb(Abramov) 0.1897855E-02 Ex_ueg -0.1350961E-02 Ec_ueg -0.3159513E-03 Delta_ex -0.1643914E-02 Delta_ec 0.4974079E-03 Delta_et -0.3429584E-02 Pxc 0.4275853E+01 Qxc -0.3304961E+01 3,+1 48 3 -1 -2.892276 -0.503821 1.696238 Rho 0.1543550E+00 |GRAD(Rho)| 0.2345658E-14 GRAD(Rho)x -0.5084569E-15 GRAD(Rho)y 0.2226721E-14 GRAD(Rho)z -0.5341322E-15 Laplacian 0.5832008E+00 (-1/4)Del**2(Rho)) -0.1458002E+00 Diamond 0.1244256E+01 Metallicity 0.5248029E+01 Ellipticity 0.7473902E-01 Gb(Abramov) 0.2247274E+00 Vb(Abramov) -0.3036546E+00 Hb(Abramov) -0.7892720E-01 Ex_ueg -0.6115228E-01 Ec_ueg -0.8722877E-02 Delta_ex -0.6327529E-01 Delta_ec 0.1505256E-01 Delta_et -0.2020315E+00 Pxc 0.7010563E+01 Qxc -0.4203624E+01 3,-1 49 3 +1 -0.679361 1.477104 -0.592267 Rho 0.9562205E-02 |GRAD(Rho)| 0.8237785E-14 GRAD(Rho)x -0.6047659E-14 GRAD(Rho)y -0.4800519E-14 GRAD(Rho)z -0.2870876E-14 Laplacian 0.3646929E-01 (-1/4)Del**2(Rho)) -0.9117322E-02 Diamond 0.1081592E-02 Metallicity 0.8139841E+00 Ellipticity -0.1464314E+01 Gb(Abramov) 0.7315107E-02 Vb(Abramov) -0.5512893E-02 Hb(Abramov) 0.1802215E-02 Ex_ueg -0.1498980E-02 Ec_ueg -0.3482348E-03 Delta_ex -0.1693517E-02 Delta_ec 0.4808683E-03 Delta_et -0.3402579E-02 Pxc 0.4304509E+01 Qxc -0.3521789E+01 3,+1 50 3 -1 -3.095645 3.487991 0.186485 Rho 0.2158605E+00 |GRAD(Rho)| 0.2444751E-13 GRAD(Rho)x 0.1704886E-13 GRAD(Rho)y -0.1651565E-13 GRAD(Rho)z 0.5852361E-14 Laplacian 0.8156118E+00 (-1/4)Del**2(Rho)) -0.2039029E+00 Diamond 0.2523530E+01 Metallicity 0.6562738E+01 Ellipticity 0.4042574E-02 Gb(Abramov) 0.3589622E+00 Vb(Abramov) -0.5140215E+00 Hb(Abramov) -0.1550593E+00 Ex_ueg -0.9563482E-01 Ec_ueg -0.1278640E-01 Delta_ex -0.9577176E-01 Delta_ec 0.1840750E-01 Delta_et -0.2530262E+00 Pxc 0.7479414E+01 Qxc -0.5202866E+01 3,-1 51 3 -1 -2.970705 2.152628 0.973936 Rho 0.1386541E+00 |GRAD(Rho)| 0.2310409E-12 GRAD(Rho)x 0.1067142E-12 GRAD(Rho)y 0.1649353E-12 GRAD(Rho)z -0.1216074E-12 Laplacian 0.5564535E+00 (-1/4)Del**2(Rho)) -0.1391134E+00 Diamond 0.1047487E+01 Metallicity 0.4599800E+01 Ellipticity 0.4814896E-01 Gb(Abramov) 0.1993912E+00 Vb(Abramov) -0.2596690E+00 Hb(Abramov) -0.6027782E-01 Ex_ueg -0.5300239E-01 Ec_ueg -0.7721219E-02 Delta_ex -0.5885731E-01 Delta_ec 0.1481846E-01 Delta_et -0.1958869E+00 Pxc 0.6864511E+01 Qxc -0.3971890E+01 3,-1 52 3 -1 -2.672817 -1.098601 0.437520 Rho 0.2848107E+00 |GRAD(Rho)| 0.2174093E-14 GRAD(Rho)x -0.9054318E-15 GRAD(Rho)y -0.1689509E-14 GRAD(Rho)z 0.1025882E-14 Laplacian -0.1318608E+01 (-1/4)Del**2(Rho)) 0.3296519E+00 Diamond 0.4351868E+01 Metallicity -0.6443050E+01 Ellipticity 0.9216822E-03 Gb(Abramov) 0.1342260E+00 Vb(Abramov) -0.5981040E+00 Hb(Abramov) -0.4638780E+00 Ex_ueg -0.1383971E+00 Ec_ueg -0.1759173E-01 Delta_ex 0.1239504E+00 Delta_ec 0.4865058E-01 Delta_et -0.1091914E+01 Pxc 0.7867165E+01 Qxc 0.2547769E+01 3,-1 53 3 +1 -1.829306 -0.308992 0.693115 Rho 0.1275070E-01 |GRAD(Rho)| 0.9416278E-15 GRAD(Rho)x 0.5890107E-15 GRAD(Rho)y 0.7209444E-15 GRAD(Rho)z 0.1413101E-15 Laplacian 0.5079281E-01 (-1/4)Del**2(Rho)) -0.1269820E-01 Diamond 0.2048249E-02 Metallicity 0.9441356E+00 Ellipticity -0.1442551E+01 Gb(Abramov) 0.1046361E-01 Vb(Abramov) -0.8229009E-02 Hb(Abramov) 0.2234597E-02 Ex_ueg -0.2200040E-02 Ec_ueg -0.4943340E-03 Delta_ex -0.2493434E-02 Delta_ec 0.5813815E-03 Delta_et -0.4482246E-02 Pxc 0.4450513E+01 Qxc -0.4288808E+01 3,+1 54 3 +1 0.508782 0.449043 1.751415 Rho 0.6778737E-02 |GRAD(Rho)| 0.2623594E-17 GRAD(Rho)x -0.1618279E-17 GRAD(Rho)y -0.2049032E-17 GRAD(Rho)z -0.2566857E-18 Laplacian 0.2643598E-01 (-1/4)Del**2(Rho)) -0.6608994E-02 Diamond 0.5233447E-03 Metallicity 0.6328962E+00 Ellipticity -0.1379296E+01 Gb(Abramov) 0.5103131E-02 Vb(Abramov) -0.3597267E-02 Hb(Abramov) 0.1505864E-02 Ex_ueg -0.9475093E-03 Ec_ueg -0.2242443E-03 Delta_ex -0.1145003E-02 Delta_ec 0.3847736E-03 Delta_et -0.2461630E-02 Pxc 0.4225344E+01 Qxc -0.2975784E+01 3,+1 55 3 -1 -1.882030 -0.607259 2.669396 Rho 0.1447718E+00 |GRAD(Rho)| 0.1392058E-15 GRAD(Rho)x 0.1136515E-15 GRAD(Rho)y -0.6432029E-16 GRAD(Rho)z 0.4821312E-16 Laplacian 0.5989979E+00 (-1/4)Del**2(Rho)) -0.1497495E+00 Diamond 0.1166224E+01 Metallicity 0.4591923E+01 Ellipticity 0.3516340E-01 Gb(Abramov) 0.2144393E+00 Vb(Abramov) -0.2791292E+00 Hb(Abramov) -0.6468985E-01 Ex_ueg -0.5614320E-01 Ec_ueg -0.8109680E-02 Delta_ex -0.6380077E-01 Delta_ec 0.1538761E-01 Delta_et -0.2039313E+00 Pxc 0.6922985E+01 Qxc -0.4146244E+01 3,-1 56 3 -1 -1.764272 0.532900 1.701491 Rho 0.5388042E-01 |GRAD(Rho)| 0.5314783E-16 GRAD(Rho)x 0.4850788E-16 GRAD(Rho)y -0.1967107E-16 GRAD(Rho)z 0.9204707E-17 Laplacian 0.2082443E+00 (-1/4)Del**2(Rho)) -0.5206108E-01 Diamond 0.1138336E+00 Metallicity 0.2543460E+01 Ellipticity 0.1348824E-01 Gb(Abramov) 0.5677660E-01 Vb(Abramov) -0.6149212E-01 Hb(Abramov) -0.4715518E-02 Ex_ueg -0.1503002E-01 Ec_ueg -0.2630466E-02 Delta_ex -0.1734977E-01 Delta_ec 0.5990885E-02 Delta_et -0.6433618E-01 Pxc 0.5713826E+01 Qxc -0.2896027E+01 3,-1 57 3 -1 -1.679164 1.866810 0.690732 Rho 0.4460488E-01 |GRAD(Rho)| 0.3167921E-14 GRAD(Rho)x -0.1840864E-14 GRAD(Rho)y 0.2525759E-14 GRAD(Rho)z -0.5171877E-15 Laplacian 0.1870432E+00 (-1/4)Del**2(Rho)) -0.4676081E-01 Diamond 0.8534315E-01 Metallicity 0.2066848E+01 Ellipticity 0.3303669E-01 Gb(Abramov) 0.4728178E-01 Vb(Abramov) -0.4780276E-01 Hb(Abramov) -0.5209752E-03 Ex_ueg -0.1168319E-01 Ec_ueg -0.2118896E-02 Delta_ex -0.1517016E-01 Delta_ec 0.5950416E-02 Delta_et -0.6095868E-01 Pxc 0.5513810E+01 Qxc -0.2549429E+01 3,-1 58 3 -1 -1.874685 2.767635 -0.473256 Rho 0.1274556E+00 |GRAD(Rho)| 0.3167321E-12 GRAD(Rho)x -0.1701146E-12 GRAD(Rho)y 0.3891296E-13 GRAD(Rho)z 0.2643218E-12 Laplacian 0.5661579E+00 (-1/4)Del**2(Rho)) -0.1415395E+00 Diamond 0.9534665E+00 Metallicity 0.3928927E+01 Ellipticity 0.4180765E-01 Gb(Abramov) 0.1870427E+00 Vb(Abramov) -0.2325459E+00 Hb(Abramov) -0.4550321E-01 Ex_ueg -0.4737295E-01 Ec_ueg -0.7016380E-02 Delta_ex -0.5856371E-01 Delta_ec 0.1516607E-01 Delta_et -0.1973382E+00 Pxc 0.6751765E+01 Qxc -0.3861497E+01 3,-1 59 3 +1 -1.126387 2.251652 1.457535 Rho 0.2219409E-01 |GRAD(Rho)| 0.1180265E-13 GRAD(Rho)x 0.5485157E-14 GRAD(Rho)y 0.4759991E-14 GRAD(Rho)z 0.9303663E-14 Laplacian 0.7605909E-01 (-1/4)Del**2(Rho)) -0.1901477E-01 Diamond 0.7430688E-02 Metallicity 0.1588026E+01 Ellipticity -0.2900112E+01 Gb(Abramov) 0.1770917E-01 Vb(Abramov) -0.1640357E-01 Hb(Abramov) 0.1305599E-02 Ex_ueg -0.4606469E-02 Ec_ueg -0.9485058E-03 Delta_ex -0.4453919E-02 Delta_ec 0.1060222E-02 Delta_et -0.9159393E-02 Pxc 0.4856553E+01 Qxc -0.4200930E+01 3,+1 60 3 +1 -0.651274 -0.602034 1.574550 Rho 0.1031329E-01 |GRAD(Rho)| 0.7502610E-16 GRAD(Rho)x 0.1479222E-16 GRAD(Rho)y 0.1056446E-16 GRAD(Rho)z -0.7279078E-16 Laplacian 0.3928884E-01 (-1/4)Del**2(Rho)) -0.9822209E-02 Diamond 0.1285529E-02 Metallicity 0.8570499E+00 Ellipticity -0.1490447E+01 Gb(Abramov) 0.7951160E-02 Vb(Abramov) -0.6080110E-02 Hb(Abramov) 0.1871049E-02 Ex_ueg -0.1657988E-02 Ec_ueg -0.3822754E-03 Delta_ex -0.1858221E-02 Delta_ec 0.5138906E-03 Delta_et -0.3708977E-02 Pxc 0.4337156E+01 Qxc -0.3615985E+01 3,+1 61 3 -1 -1.902469 3.240188 1.155259 Rho 0.1681330E+00 |GRAD(Rho)| 0.2690337E-15 GRAD(Rho)x -0.4049495E-16 GRAD(Rho)y -0.2614554E-15 GRAD(Rho)z -0.4878910E-16 Laplacian 0.6492288E+00 (-1/4)Del**2(Rho)) -0.1623072E+00 Diamond 0.1540339E+01 Metallicity 0.5436304E+01 Ellipticity 0.4605475E-01 Gb(Abramov) 0.2552633E+00 Vb(Abramov) -0.3482195E+00 Hb(Abramov) -0.9295614E-01 Ex_ueg -0.6853657E-01 Ec_ueg -0.9614220E-02 Delta_ex -0.7198850E-01 Delta_ec 0.1648393E-01 Delta_et -0.2239897E+00 Pxc 0.7128667E+01 Qxc -0.4367194E+01 3,-1 62 3 +1 -0.078581 0.033731 2.896673 Rho 0.4474269E-02 |GRAD(Rho)| 0.7508753E-16 GRAD(Rho)x -0.5752212E-16 GRAD(Rho)y 0.4587630E-16 GRAD(Rho)z 0.1499027E-16 Laplacian 0.1765407E-01 (-1/4)Del**2(Rho)) -0.4413518E-02 Diamond 0.3423003E-03 Metallicity 0.4742111E+00 Ellipticity -0.2656661E+01 Gb(Abramov) 0.3291169E-02 Vb(Abramov) -0.2168819E-02 Hb(Abramov) 0.1122350E-02 Ex_ueg -0.5445208E-03 Ec_ueg -0.1243591E-03 Delta_ex -0.8460415E-03 Delta_ec 0.5322657E-03 Delta_et -0.2805356E-02 Pxc 0.4378618E+01 Qxc -0.1589510E+01 3,+1 63 3 -1 -1.040517 0.042944 -1.890274 Rho 0.7518363E-02 |GRAD(Rho)| 0.5024382E-16 GRAD(Rho)x 0.2974739E-16 GRAD(Rho)y -0.1485809E-17 GRAD(Rho)z 0.4046389E-16 Laplacian 0.2719079E-01 (-1/4)Del**2(Rho)) -0.6797698E-02 Diamond 0.1164306E-02 Metallicity 0.7312459E+00 Ellipticity 0.2482309E+01 Gb(Abramov) 0.5360264E-02 Vb(Abramov) -0.3922829E-02 Hb(Abramov) 0.1437435E-02 Ex_ueg -0.1087801E-02 Ec_ueg -0.2568477E-03 Delta_ex -0.1501837E-02 Delta_ec 0.9199546E-03 Delta_et -0.5620285E-02 Pxc 0.4235198E+01 Qxc -0.1632512E+01 3,-1 64 3 -1 -2.033936 0.810483 2.963938 Rho 0.1373801E+00 |GRAD(Rho)| 0.7448467E-16 GRAD(Rho)x -0.4458781E-17 GRAD(Rho)y 0.2139944E-16 GRAD(Rho)z -0.7120498E-16 Laplacian 0.5447488E+00 (-1/4)Del**2(Rho)) -0.1361872E+00 Diamond 0.9962983E+00 Metallicity 0.4626897E+01 Ellipticity 0.3368836E-01 Gb(Abramov) 0.1958122E+00 Vb(Abramov) -0.2554371E+00 Hb(Abramov) -0.5962496E-01 Ex_ueg -0.5235403E-01 Ec_ueg -0.7640619E-02 Delta_ex -0.5729107E-01 Delta_ec 0.1418202E-01 Delta_et -0.1864957E+00 Pxc 0.6852066E+01 Qxc -0.4039699E+01 3,-1 65 3 +1 1.659960 0.493801 0.535380 Rho 0.6012045E-02 |GRAD(Rho)| 0.3682176E-16 GRAD(Rho)x -0.7122849E-17 GRAD(Rho)y -0.3472742E-16 GRAD(Rho)z 0.9955582E-17 Laplacian 0.2219935E-01 (-1/4)Del**2(Rho)) -0.5549837E-02 Diamond 0.3704481E-03 Metallicity 0.6170353E+00 Ellipticity -0.1382181E+01 Gb(Abramov) 0.4270632E-02 Vb(Abramov) -0.2991428E-02 Hb(Abramov) 0.1279205E-02 Ex_ueg -0.8073863E-03 Ec_ueg -0.1907219E-03 Delta_ex -0.9315326E-03 Delta_ec 0.3192453E-03 Delta_et -0.1982000E-02 Pxc 0.4233317E+01 Qxc -0.2917921E+01 3,+1 66 3 +1 2.023273 1.912270 -1.957308 Rho 0.1175484E-01 |GRAD(Rho)| 0.1346970E-16 GRAD(Rho)x -0.6618560E-18 GRAD(Rho)y 0.1260141E-16 GRAD(Rho)z 0.4711610E-17 Laplacian 0.4639103E-01 (-1/4)Del**2(Rho)) -0.1159776E-01 Diamond 0.1418009E-02 Metallicity 0.9026930E+00 Ellipticity -0.1203344E+01 Gb(Abramov) 0.9476707E-02 Vb(Abramov) -0.7355657E-02 Hb(Abramov) 0.2121050E-02 Ex_ueg -0.1973970E-02 Ec_ueg -0.4482632E-03 Delta_ex -0.2152399E-02 Delta_ec 0.3958472E-03 Delta_et -0.3113496E-02 Pxc 0.4403595E+01 Qxc -0.5437449E+01 3,+1 67 3 -1 0.670856 2.748042 -2.038001 Rho 0.1081266E+00 |GRAD(Rho)| 0.1129389E-12 GRAD(Rho)x -0.5098924E-13 GRAD(Rho)y 0.3441752E-13 GRAD(Rho)z -0.9471393E-13 Laplacian 0.4355593E+00 (-1/4)Del**2(Rho)) -0.1088898E+00 Diamond 0.5877302E+00 Metallicity 0.3882579E+01 Ellipticity 0.1071166E-01 Gb(Abramov) 0.1430554E+00 Vb(Abramov) -0.1772210E+00 Hb(Abramov) -0.3416561E-01 Ex_ueg -0.3804479E-01 Ec_ueg -0.5819910E-02 Delta_ex -0.4311444E-01 Delta_ec 0.1172952E-01 Delta_et -0.1476383E+00 Pxc 0.6537008E+01 Qxc -0.3675721E+01 3,-1 68 3 +1 2.879411 -0.035822 0.010357 Rho 0.3926160E-02 |GRAD(Rho)| 0.3320235E-17 GRAD(Rho)x 0.2128584E-17 GRAD(Rho)y 0.8775359E-18 GRAD(Rho)z 0.2392284E-17 Laplacian 0.1525634E-01 (-1/4)Del**2(Rho)) -0.3814086E-02 Diamond 0.2223059E-03 Metallicity 0.4413427E+00 Ellipticity -0.1728027E+01 Gb(Abramov) 0.2823277E-02 Vb(Abramov) -0.1832468E-02 Hb(Abramov) 0.9908089E-03 Ex_ueg -0.4574486E-03 Ec_ueg -0.1009979E-03 Delta_ex -0.6799616E-03 Delta_ec 0.4007406E-03 Delta_et -0.2056411E-02 Pxc 0.4529290E+01 Qxc -0.1696762E+01 3,+1 69 3 +1 -0.901754 0.148738 -1.806837 Rho 0.7483891E-02 |GRAD(Rho)| 0.2996430E-15 GRAD(Rho)x 0.2056712E-15 GRAD(Rho)y 0.3028528E-16 GRAD(Rho)z 0.2157965E-15 Laplacian 0.2688768E-01 (-1/4)Del**2(Rho)) -0.6721919E-02 Diamond 0.9229547E-03 Metallicity 0.7338471E+00 Ellipticity -0.3891124E+01 Gb(Abramov) 0.5303423E-02 Vb(Abramov) -0.3884927E-02 Hb(Abramov) 0.1418496E-02 Ex_ueg -0.1081156E-02 Ec_ueg -0.2553225E-03 Delta_ex -0.1363732E-02 Delta_ec 0.6954503E-03 Delta_et -0.4318078E-02 Pxc 0.4234472E+01 Qxc -0.1960934E+01 3,+1 70 3 -1 -0.779147 2.478303 -1.875703 Rho 0.1431096E+00 |GRAD(Rho)| 0.2510554E-12 GRAD(Rho)x 0.1664187E-12 GRAD(Rho)y -0.7381982E-13 GRAD(Rho)z -0.1728706E-12 Laplacian 0.5868977E+00 (-1/4)Del**2(Rho)) -0.1467244E+00 Diamond 0.1135260E+01 Metallicity 0.4597254E+01 Ellipticity 0.2848336E-01 Gb(Abramov) 0.2102379E+00 Vb(Abramov) -0.2737513E+00 Hb(Abramov) -0.6351344E-01 Ex_ueg -0.5528533E-01 Ec_ueg -0.8003896E-02 Delta_ex -0.6242426E-01 Delta_ec 0.1527734E-01 Delta_et -0.2024652E+00 Pxc 0.6907303E+01 Qxc -0.4086069E+01 3,-1 71 3 +3 0.014310 2.441898 -0.017388 Rho 0.3405755E-02 |GRAD(Rho)| 0.1292712E-17 GRAD(Rho)x 0.9586167E-19 GRAD(Rho)y 0.1261114E-17 GRAD(Rho)z -0.2674095E-18 Laplacian 0.1322672E-01 (-1/4)Del**2(Rho)) -0.3306681E-02 Diamond 0.8553509E-04 Metallicity 0.4016519E+00 Ellipticity -0.4805690E+00 Gb(Abramov) 0.2425810E-02 Vb(Abramov) -0.1544939E-02 Hb(Abramov) 0.8808712E-03 Ex_ueg -0.3784451E-03 Ec_ueg -0.7896457E-04 Delta_ex -0.4591349E-03 Delta_ec 0.1435858E-03 Delta_et -0.8076568E-03 Pxc 0.4792593E+01 Qxc -0.3197635E+01 3,+3 72 3 +1 1.027148 -2.221587 1.424719 Rho 0.2977619E-01 |GRAD(Rho)| 0.7299517E-16 GRAD(Rho)x 0.2858111E-17 GRAD(Rho)y -0.6784538E-16 GRAD(Rho)z 0.2677928E-16 Laplacian 0.1155551E+00 (-1/4)Del**2(Rho)) -0.2888877E-01 Diamond 0.1854054E-01 Metallicity 0.1705843E+01 Ellipticity -0.4454374E+01 Gb(Abramov) 0.2747247E-01 Vb(Abramov) -0.2605617E-01 Hb(Abramov) 0.1416304E-02 Ex_ueg -0.6816223E-02 Ec_ueg -0.1332068E-02 Delta_ex -0.7473200E-02 Delta_ec 0.1855147E-02 Delta_et -0.1709041E-01 Pxc 0.5117022E+01 Qxc -0.4028360E+01 3,+1 73 3 +3 0.000419 0.008876 2.414598 Rho 0.4158017E-02 |GRAD(Rho)| 0.1495682E-16 GRAD(Rho)x 0.2787905E-17 GRAD(Rho)y -0.1465536E-16 GRAD(Rho)z -0.1074466E-17 Laplacian 0.1664972E-01 (-1/4)Del**2(Rho)) -0.4162431E-02 Diamond 0.1425354E-03 Metallicity 0.4449898E+00 Ellipticity -0.1312873E+00 Gb(Abramov) 0.3083660E-02 Vb(Abramov) -0.2004890E-02 Hb(Abramov) 0.1078770E-02 Ex_ueg -0.4938179E-03 Ec_ueg -0.1108608E-03 Delta_ex -0.6086588E-03 Delta_ec 0.1839577E-03 Delta_et -0.1084948E-02 Pxc 0.4454397E+01 Qxc -0.3308689E+01 3,+3 74 3 +3 2.345982 -0.029003 0.052031 Rho 0.3586379E-02 |GRAD(Rho)| 0.2429046E-17 GRAD(Rho)x -0.3410499E-18 GRAD(Rho)y 0.2746769E-18 GRAD(Rho)z -0.2389247E-17 Laplacian 0.1417416E-01 (-1/4)Del**2(Rho)) -0.3543540E-02 Diamond 0.9441023E-04 Metallicity 0.4085164E+00 Ellipticity -0.2031269E+00 Gb(Abramov) 0.2603625E-02 Vb(Abramov) -0.1663711E-02 Hb(Abramov) 0.9399142E-03 Ex_ueg -0.4054400E-03 Ec_ueg -0.8659554E-04 Delta_ex -0.4926228E-03 Delta_ec 0.1438548E-03 Delta_et -0.8319903E-03 Pxc 0.4681996E+01 Qxc -0.3424446E+01 3,+3 75 3 -1 -0.835776 1.918682 3.096652 Rho 0.1346885E+00 |GRAD(Rho)| 0.1085944E-12 GRAD(Rho)x 0.1074591E-12 GRAD(Rho)y -0.1226655E-13 GRAD(Rho)z -0.9737111E-14 Laplacian 0.5228993E+00 (-1/4)Del**2(Rho)) -0.1307248E+00 Diamond 0.9358536E+00 Metallicity 0.4663862E+01 Ellipticity 0.2797667E-01 Gb(Abramov) 0.1887637E+00 Vb(Abramov) -0.2468025E+00 Hb(Abramov) -0.5803883E-01 Ex_ueg -0.5099085E-01 Ec_ueg -0.7470682E-02 Delta_ex -0.5475285E-01 Delta_ec 0.1371902E-01 Delta_et -0.1799302E+00 Pxc 0.6825461E+01 Qxc -0.3991018E+01 3,-1 76 3 -1 0.373351 1.476701 -1.765806 Rho 0.5778785E-01 |GRAD(Rho)| 0.2179157E-13 GRAD(Rho)x -0.5333600E-14 GRAD(Rho)y 0.1178659E-13 GRAD(Rho)z -0.1753572E-13 Laplacian 0.2268295E+00 (-1/4)Del**2(Rho)) -0.5670738E-01 Diamond 0.1395833E+00 Metallicity 0.2624065E+01 Ellipticity 0.3089067E-01 Gb(Abramov) 0.6260556E-01 Vb(Abramov) -0.6850374E-01 Hb(Abramov) -0.5898178E-02 Ex_ueg -0.1650063E-01 Ec_ueg -0.2849675E-02 Delta_ex -0.1935308E-01 Delta_ec 0.6725094E-02 Delta_et -0.7360244E-01 Pxc 0.5790354E+01 Qxc -0.2877741E+01 3,-1 77 3 -1 -0.779553 3.053217 2.241880 Rho 0.1064315E+00 |GRAD(Rho)| 0.3220783E-15 GRAD(Rho)x 0.1823560E-15 GRAD(Rho)y -0.2291665E-15 GRAD(Rho)z 0.1340277E-15 Laplacian 0.4206860E+00 (-1/4)Del**2(Rho)) -0.1051715E+00 Diamond 0.5593807E+00 Metallicity 0.3915366E+01 Ellipticity 0.1963559E-01 Gb(Abramov) 0.1387452E+00 Vb(Abramov) -0.1723188E+00 Hb(Abramov) -0.3357365E-01 Ex_ueg -0.3725165E-01 Ec_ueg -0.5716272E-02 Delta_ex -0.4152534E-01 Delta_ec 0.1143784E-01 Delta_et -0.1436371E+00 Pxc 0.6516774E+01 Qxc -0.3630524E+01 3,-1 78 3 -1 -0.500048 -1.767028 2.850526 Rho 0.1233923E+00 |GRAD(Rho)| 0.1197386E-15 GRAD(Rho)x -0.1045442E-15 GRAD(Rho)y -0.2286311E-16 GRAD(Rho)z -0.5371332E-16 Laplacian 0.5435816E+00 (-1/4)Del**2(Rho)) -0.1358954E+00 Diamond 0.8873365E+00 Metallicity 0.3876993E+01 Ellipticity 0.3157495E-01 Gb(Abramov) 0.1784078E+00 Vb(Abramov) -0.2209203E+00 Hb(Abramov) -0.4251245E-01 Ex_ueg -0.4537002E-01 Ec_ueg -0.6762689E-02 Delta_ex -0.5588305E-01 Delta_ec 0.1483073E-01 Delta_et -0.1921786E+00 Pxc 0.6708873E+01 Qxc -0.3768058E+01 3,-1 79 3 +1 0.560245 1.739073 0.489577 Rho 0.5710979E-02 |GRAD(Rho)| 0.2370216E-14 GRAD(Rho)x -0.8547942E-15 GRAD(Rho)y -0.2108623E-14 GRAD(Rho)z -0.6640487E-15 Laplacian 0.2090755E-01 (-1/4)Del**2(Rho)) -0.5226888E-02 Diamond 0.3206592E-03 Metallicity 0.6013966E+00 Ellipticity -0.1358102E+01 Gb(Abramov) 0.4008497E-02 Vb(Abramov) -0.2790107E-02 Hb(Abramov) 0.1218391E-02 Ex_ueg -0.7539326E-03 Ec_ueg -0.1776363E-03 Delta_ex -0.8627395E-03 Delta_ec 0.2940552E-03 Delta_et -0.1806720E-02 Pxc 0.4244249E+01 Qxc -0.2933937E+01 3,+1 80 3 +1 2.130760 1.487435 -0.987978 Rho 0.1594871E-01 |GRAD(Rho)| 0.1976031E-16 GRAD(Rho)x 0.1805928E-16 GRAD(Rho)y 0.4823578E-17 GRAD(Rho)z -0.6408248E-17 Laplacian 0.5300563E-01 (-1/4)Del**2(Rho)) -0.1325141E-01 Diamond 0.2598775E-02 Metallicity 0.1313713E+01 Ellipticity -0.1655205E+01 Gb(Abramov) 0.1173570E-01 Vb(Abramov) -0.1021999E-01 Hb(Abramov) 0.1515711E-02 Ex_ueg -0.2964963E-02 Ec_ueg -0.6447920E-03 Delta_ex -0.2703725E-02 Delta_ec 0.4969010E-03 Delta_et -0.4110823E-02 Pxc 0.4598325E+01 Qxc -0.5441175E+01 3,+1 81 3 -1 -0.576482 0.393463 0.456058 Rho 0.1642221E+00 |GRAD(Rho)| 0.3666960E-12 GRAD(Rho)x 0.1657129E-12 GRAD(Rho)y -0.2402800E-12 GRAD(Rho)z -0.2219700E-12 Laplacian 0.4091125E+00 (-1/4)Del**2(Rho)) -0.1022781E+00 Diamond 0.9428171E+00 Metallicity 0.8295129E+01 Ellipticity 0.8377112E-02 Gb(Abramov) 0.2095871E+00 Vb(Abramov) -0.3168962E+00 Hb(Abramov) -0.1073090E+00 Ex_ueg -0.6641925E-01 Ec_ueg -0.9360066E-02 Delta_ex -0.4509310E-01 Delta_ec 0.1043706E-01 Delta_et -0.1413623E+00 Pxc 0.7096024E+01 Qxc -0.4320478E+01 3,-1 82 3 -1 0.311857 0.302173 -0.520372 Rho 0.1745003E+00 |GRAD(Rho)| 0.3314003E-15 GRAD(Rho)x 0.2498002E-15 GRAD(Rho)y -0.1873501E-15 GRAD(Rho)z 0.1110223E-15 Laplacian 0.4443108E+00 (-1/4)Del**2(Rho)) -0.1110777E+00 Diamond 0.1100569E+01 Metallicity 0.8451230E+01 Ellipticity 0.2082130E-01 Gb(Abramov) 0.2305090E+00 Vb(Abramov) -0.3499403E+00 Hb(Abramov) -0.1194313E+00 Ex_ueg -0.7201893E-01 Ec_ueg -0.1002992E-01 Delta_ex -0.4971014E-01 Delta_ec 0.1114966E-01 Delta_et -0.1521325E+00 Pxc 0.7180407E+01 Qxc -0.4458446E+01 3,-1 83 3 -1 0.795483 1.673558 -2.991695 Rho 0.8855718E-01 |GRAD(Rho)| 0.2471973E-10 GRAD(Rho)x 0.1973931E-10 GRAD(Rho)y -0.1196115E-10 GRAD(Rho)z -0.8851882E-11 Laplacian 0.3382879E+00 (-1/4)Del**2(Rho)) -0.8457196E-01 Diamond 0.3647430E+00 Metallicity 0.3583987E+01 Ellipticity 0.1717016E-01 Gb(Abramov) 0.1068988E+00 Vb(Abramov) -0.1292256E+00 Hb(Abramov) -0.2232681E-01 Ex_ueg -0.2915301E-01 Ec_ueg -0.4637268E-02 Delta_ex -0.3208364E-01 Delta_ec 0.9736354E-02 Delta_et -0.1180091E+00 Pxc 0.6286679E+01 Qxc -0.3295242E+01 3,-1 84 3 +3 1.061729 1.099005 1.072560 Rho 0.3662578E-02 |GRAD(Rho)| 0.3686851E-17 GRAD(Rho)x 0.4969898E-18 GRAD(Rho)y -0.2134733E-17 GRAD(Rho)z -0.2964589E-17 Laplacian 0.1362315E-01 (-1/4)Del**2(Rho)) -0.3405787E-02 Diamond 0.7069589E-04 Metallicity 0.4401970E+00 Ellipticity -0.3391916E+00 Gb(Abramov) 0.2520394E-02 Vb(Abramov) -0.1635001E-02 Hb(Abramov) 0.8853928E-03 Ex_ueg -0.4169662E-03 Ec_ueg -0.8982003E-04 Delta_ex -0.4440651E-03 Delta_ec 0.8136826E-04 Delta_et -0.5460919E-03 Pxc 0.4642241E+01 Qxc -0.5457473E+01 3,+3 85 3 -1 1.543063 -1.830277 0.505923 Rho 0.5284282E-01 |GRAD(Rho)| 0.3456484E-16 GRAD(Rho)x 0.3114413E-16 GRAD(Rho)y -0.1492641E-16 GRAD(Rho)z -0.1404804E-17 Laplacian 0.2090283E+00 (-1/4)Del**2(Rho)) -0.5225707E-01 Diamond 0.1131637E+00 Metallicity 0.2453116E+01 Ellipticity 0.1722559E-01 Gb(Abramov) 0.5620349E-01 Vb(Abramov) -0.6014991E-01 Hb(Abramov) -0.3946423E-02 Ex_ueg -0.1464535E-01 Ec_ueg -0.2572607E-02 Delta_ex -0.1740447E-01 Delta_ec 0.6149029E-02 Delta_et -0.6575354E-01 Pxc 0.5692805E+01 Qxc -0.2830442E+01 3,-1 86 3 -1 0.597685 -1.679065 1.877618 Rho 0.5098606E-01 |GRAD(Rho)| 0.5216511E-13 GRAD(Rho)x 0.2490476E-13 GRAD(Rho)y 0.2064569E-14 GRAD(Rho)z 0.4578961E-13 Laplacian 0.2171710E+00 (-1/4)Del**2(Rho)) -0.5429276E-01 Diamond 0.1189232E+00 Metallicity 0.2224490E+01 Ellipticity 0.2676193E-01 Gb(Abramov) 0.5632412E-01 Vb(Abramov) -0.5835548E-01 Hb(Abramov) -0.2031360E-02 Ex_ueg -0.1396327E-01 Ec_ueg -0.2469452E-02 Delta_ex -0.1821061E-01 Delta_ec 0.6910078E-02 Delta_et -0.7337001E-01 Pxc 0.5654399E+01 Qxc -0.2635370E+01 3,-1 87 3 -1 0.099441 -3.051523 3.496356 Rho 0.2137228E+00 |GRAD(Rho)| 0.1851743E-15 GRAD(Rho)x -0.9730714E-16 GRAD(Rho)y 0.8088148E-16 GRAD(Rho)z -0.1352000E-15 Laplacian 0.8123737E+00 (-1/4)Del**2(Rho)) -0.2030934E+00 Diamond 0.2481856E+01 Metallicity 0.6480504E+01 Ellipticity 0.2595968E-02 Gb(Abramov) 0.3547536E+00 Vb(Abramov) -0.5064137E+00 Hb(Abramov) -0.1516602E+00 Ex_ueg -0.9437412E-01 Ec_ueg -0.1264159E-01 Delta_ex -0.9513583E-01 Delta_ec 0.1836681E-01 Delta_et -0.2522448E+00 Pxc 0.7465366E+01 Qxc -0.5179769E+01 3,-1 88 3 -1 0.638412 1.763744 2.928291 Rho 0.1840645E+00 |GRAD(Rho)| 0.1057651E-15 GRAD(Rho)x 0.9475927E-16 GRAD(Rho)y -0.4195862E-16 GRAD(Rho)z -0.2112839E-16 Laplacian 0.7659787E+00 (-1/4)Del**2(Rho)) -0.1914947E+00 Diamond 0.1958313E+01 Metallicity 0.5358129E+01 Ellipticity 0.2571218E-01 Gb(Abramov) 0.2986720E+00 Vb(Abramov) -0.4058493E+00 Hb(Abramov) -0.1071773E+00 Ex_ueg -0.7732948E-01 Ec_ueg -0.1065875E-01 Delta_ex -0.8636092E-01 Delta_ec 0.1808284E-01 Delta_et -0.2456231E+00 Pxc 0.7255027E+01 Qxc -0.4775849E+01 3,-1 89 3 -1 0.897785 -2.952505 2.172243 Rho 0.1310181E+00 |GRAD(Rho)| 0.2719545E-15 GRAD(Rho)x -0.1676854E-15 GRAD(Rho)y 0.2574980E-17 GRAD(Rho)z 0.2140893E-15 Laplacian 0.5299203E+00 (-1/4)Del**2(Rho)) -0.1324801E+00 Diamond 0.9311008E+00 Metallicity 0.4394961E+01 Ellipticity 0.5506873E-01 Gb(Abramov) 0.1853608E+00 Vb(Abramov) -0.2382416E+00 Hb(Abramov) -0.5288077E-01 Ex_ueg -0.4914662E-01 Ec_ueg -0.7239714E-02 Delta_ex -0.5528194E-01 Delta_ec 0.1428621E-01 Delta_et -0.1870844E+00 Pxc 0.6788475E+01 Qxc -0.3869601E+01 3,-1 90 3 +1 2.102851 -0.979532 1.426079 Rho 0.2487972E-01 |GRAD(Rho)| 0.2526154E-16 GRAD(Rho)x 0.1145548E-16 GRAD(Rho)y 0.1099190E-16 GRAD(Rho)z 0.1964931E-16 Laplacian 0.9296498E-01 (-1/4)Del**2(Rho)) -0.2324125E-01 Diamond 0.1034672E-01 Metallicity 0.1571699E+01 Ellipticity -0.2406269E+01 Gb(Abramov) 0.2158221E-01 Vb(Abramov) -0.1992317E-01 Hb(Abramov) 0.1659040E-02 Ex_ueg -0.5364291E-02 Ec_ueg -0.1082660E-02 Delta_ex -0.5585200E-02 Delta_ec 0.1239610E-02 Delta_et -0.1100889E-01 Pxc 0.4954733E+01 Qxc -0.4505610E+01 3,+1 91 3 +1 1.509242 -1.028351 2.228754 Rho 0.1974192E-01 |GRAD(Rho)| 0.1789313E-16 GRAD(Rho)x -0.1209480E-16 GRAD(Rho)y -0.1253082E-16 GRAD(Rho)z -0.4105952E-17 Laplacian 0.6400927E-01 (-1/4)Del**2(Rho)) -0.1600232E-01 Diamond 0.4446064E-02 Metallicity 0.1552456E+01 Ellipticity -0.1983811E+01 Gb(Abramov) 0.1480869E-01 Vb(Abramov) -0.1361507E-01 Hb(Abramov) 0.1193625E-02 Ex_ueg -0.3940677E-02 Ec_ueg -0.8278082E-03 Delta_ex -0.3500852E-02 Delta_ec 0.6599553E-03 Delta_et -0.5654640E-02 Pxc 0.4760375E+01 Qxc -0.5304680E+01 3,+1 92 3 -1 1.090271 -1.867234 3.285882 Rho 0.1755428E+00 |GRAD(Rho)| 0.3881030E-11 GRAD(Rho)x 0.2971475E-11 GRAD(Rho)y 0.1949264E-11 GRAD(Rho)z 0.1559840E-11 Laplacian 0.6657715E+00 (-1/4)Del**2(Rho)) -0.1664429E+00 Diamond 0.1657513E+01 Metallicity 0.5696303E+01 Ellipticity 0.3498151E-01 Gb(Abramov) 0.2689801E+00 Vb(Abramov) -0.3715173E+00 Hb(Abramov) -0.1025372E+00 Ex_ueg -0.7259317E-01 Ec_ueg -0.1009821E-01 Delta_ex -0.7457031E-01 Delta_ec 0.1663158E-01 Delta_et -0.2269516E+00 Pxc 0.7188717E+01 Qxc -0.4483658E+01 3,-1 93 3 +1 1.764457 1.848796 1.841430 Rho 0.1137931E-01 |GRAD(Rho)| 0.1194791E-16 GRAD(Rho)x 0.1133176E-16 GRAD(Rho)y -0.2309285E-17 GRAD(Rho)z 0.3001827E-17 Laplacian 0.5341029E-01 (-1/4)Del**2(Rho)) -0.1335257E-01 Diamond 0.1933239E-02 Metallicity 0.7427591E+00 Ellipticity -0.1276708E+01 Gb(Abramov) 0.1055467E-01 Vb(Abramov) -0.7756772E-02 Hb(Abramov) 0.2797900E-02 Ex_ueg -0.1890338E-02 Ec_ueg -0.4309920E-03 Delta_ex -0.2571335E-02 Delta_ec 0.6618972E-03 Delta_et -0.4923679E-02 Pxc 0.4386017E+01 Qxc -0.3884795E+01 3,+1 94 3 +1 1.463622 1.964451 -0.790075 Rho 0.2273265E-01 |GRAD(Rho)| 0.3909025E-16 GRAD(Rho)x -0.2149253E-16 GRAD(Rho)y -0.3210550E-16 GRAD(Rho)z 0.5946079E-17 Laplacian 0.8370451E-01 (-1/4)Del**2(Rho)) -0.2092613E-01 Diamond 0.8445309E-02 Metallicity 0.1501809E+01 Ellipticity -0.2465067E+01 Gb(Abramov) 0.1918859E-01 Vb(Abramov) -0.1745105E-01 Hb(Abramov) 0.1737536E-02 Ex_ueg -0.4756110E-02 Ec_ueg -0.9752486E-03 Delta_ex -0.4932855E-02 Delta_ec 0.1165117E-02 Delta_et -0.1012207E-01 Pxc 0.4876819E+01 Qxc -0.4233785E+01 3,+1 95 3 -1 0.560732 2.836591 2.009990 Rho 0.1547463E+00 |GRAD(Rho)| 0.1684834E-12 GRAD(Rho)x -0.1162514E-12 GRAD(Rho)y -0.3758322E-13 GRAD(Rho)z 0.1160163E-12 Laplacian 0.6279816E+00 (-1/4)Del**2(Rho)) -0.1569954E+00 Diamond 0.1325341E+01 Metallicity 0.4894408E+01 Ellipticity 0.1939546E-01 Gb(Abramov) 0.2327302E+00 Vb(Abramov) -0.3084650E+00 Hb(Abramov) -0.7573480E-01 Ex_ueg -0.6135909E-01 Ec_ueg -0.8748037E-02 Delta_ex -0.6799911E-01 Delta_ec 0.1588195E-01 Delta_et -0.2124942E+00 Pxc 0.7014041E+01 Qxc -0.4281534E+01 3,-1 96 3 -1 1.798973 -0.569872 1.686518 Rho 0.2998618E-01 |GRAD(Rho)| 0.6732836E-16 GRAD(Rho)x 0.4869296E-16 GRAD(Rho)y 0.3120363E-16 GRAD(Rho)z 0.3447371E-16 Laplacian 0.1195120E+00 (-1/4)Del**2(Rho)) -0.2987799E-01 Diamond 0.3090159E-01 Metallicity 0.1668797E+01 Ellipticity 0.1251856E+00 Gb(Abramov) 0.2822871E-01 Vb(Abramov) -0.2657943E-01 Hb(Abramov) 0.1649278E-02 Ex_ueg -0.6880392E-02 Ec_ueg -0.1342894E-02 Delta_ex -0.8727283E-02 Delta_ec 0.3674415E-02 Delta_et -0.3373858E-01 Pxc 0.5123555E+01 Qxc -0.2375149E+01 3,-1 97 3 -1 1.817618 0.546349 -1.669234 Rho 0.3960328E-01 |GRAD(Rho)| 0.6992779E-16 GRAD(Rho)x 0.6223808E-16 GRAD(Rho)y -0.2857016E-16 GRAD(Rho)z 0.1414439E-16 Laplacian 0.1540360E+00 (-1/4)Del**2(Rho)) -0.3850901E-01 Diamond 0.5473104E-01 Metallicity 0.2058462E+01 Ellipticity 0.1097957E+00 Gb(Abramov) 0.3888423E-01 Vb(Abramov) -0.3925945E-01 Hb(Abramov) -0.3752195E-03 Ex_ueg -0.9969958E-02 Ec_ueg -0.1848805E-02 Delta_ex -0.1183614E-01 Delta_ec 0.4371960E-02 Delta_et -0.4330870E-01 Pxc 0.5392650E+01 Qxc -0.2707284E+01 3,-1 98 3 -1 2.813876 -0.492467 -1.802165 Rho 0.1734709E+00 |GRAD(Rho)| 0.2024254E-15 GRAD(Rho)x 0.1173073E-15 GRAD(Rho)y -0.1338448E-15 GRAD(Rho)z 0.9643978E-16 Laplacian 0.7357561E+00 (-1/4)Del**2(Rho)) -0.1839390E+00 Diamond 0.1731542E+01 Metallicity 0.5053479E+01 Ellipticity 0.4450342E-01 Gb(Abramov) 0.2775480E+00 Vb(Abramov) -0.3711570E+00 Hb(Abramov) -0.9360898E-01 Ex_ueg -0.7145303E-01 Ec_ueg -0.9962557E-02 Delta_ex -0.8155572E-01 Delta_ec 0.1734794E-01 Delta_et -0.2333829E+00 Pxc 0.7172157E+01 Qxc -0.4701176E+01 3,-1 99 3 -1 1.793644 -3.091965 0.865369 Rho 0.1402069E+00 |GRAD(Rho)| 0.1991491E-15 GRAD(Rho)x -0.4395085E-16 GRAD(Rho)y 0.4182988E-16 GRAD(Rho)z -0.1896812E-15 Laplacian 0.5250720E+00 (-1/4)Del**2(Rho)) -0.1312680E+00 Diamond 0.9956982E+00 Metallicity 0.4966034E+01 Ellipticity 0.2068777E-01 Gb(Abramov) 0.1961589E+00 Vb(Abramov) -0.2610498E+00 Hb(Abramov) -0.6489090E-01 Ex_ueg -0.5379526E-01 Ec_ueg -0.7819589E-02 Delta_ex -0.5562214E-01 Delta_ec 0.1382813E-01 Delta_et -0.1828792E+00 Pxc 0.6879551E+01 Qxc -0.4022390E+01 3,-1 100 3 -1 1.581436 -2.915053 -0.578231 Rho 0.2250570E+00 |GRAD(Rho)| 0.5635485E-15 GRAD(Rho)x 0.3625572E-15 GRAD(Rho)y -0.3275917E-15 GRAD(Rho)z -0.2807542E-15 Laplacian 0.8734208E+00 (-1/4)Del**2(Rho)) -0.2183552E+00 Diamond 0.2820523E+01 Metallicity 0.6569676E+01 Ellipticity 0.1647068E-01 Gb(Abramov) 0.3846573E+00 Vb(Abramov) -0.5509593E+00 Hb(Abramov) -0.1663021E+00 Ex_ueg -0.1011056E+00 Ec_ueg -0.1341227E-01 Delta_ex -0.1035527E+00 Delta_ec 0.1926093E-01 Delta_et -0.2644451E+00 Pxc 0.7538292E+01 Qxc -0.5376308E+01 3,-1 101 3 -1 1.591368 1.787298 -0.547636 Rho 0.2355847E-01 |GRAD(Rho)| 0.9818950E-16 GRAD(Rho)x -0.5229497E-16 GRAD(Rho)y -0.7088363E-16 GRAD(Rho)z -0.4338116E-16 Laplacian 0.8962241E-01 (-1/4)Del**2(Rho)) -0.2240560E-01 Diamond 0.1522781E-01 Metallicity 0.1488590E+01 Ellipticity 0.6591509E+00 Gb(Abramov) 0.2049586E-01 Vb(Abramov) -0.1858612E-01 Hb(Abramov) 0.1909742E-02 Ex_ueg -0.4987864E-02 Ec_ueg -0.1016413E-02 Delta_ex -0.6006798E-02 Delta_ec 0.2449812E-02 Delta_et -0.2105847E-01 Pxc 0.4907320E+01 Qxc -0.2451942E+01 3,-1 102 3 +3 1.931983 1.807202 -1.832669 Rho 0.1168260E-01 |GRAD(Rho)| 0.4932208E-17 GRAD(Rho)x 0.5306470E-18 GRAD(Rho)y -0.4751293E-17 GRAD(Rho)z -0.1212561E-17 Laplacian 0.4608121E-01 (-1/4)Del**2(Rho)) -0.1152030E-01 Diamond 0.1058301E-02 Metallicity 0.8994737E+00 Ellipticity -0.6897414E+00 Gb(Abramov) 0.9407237E-02 Vb(Abramov) -0.7294171E-02 Hb(Abramov) 0.2113066E-02 Ex_ueg -0.1957812E-02 Ec_ueg -0.4449366E-03 Delta_ex -0.2033054E-02 Delta_ec 0.2123104E-03 Delta_et -0.1882220E-02 Pxc 0.4400205E+01 Qxc -0.9575856E+01 3,+3 103 3 -1 1.843075 3.017225 -0.840617 Rho 0.1447645E+00 |GRAD(Rho)| 0.1572407E-12 GRAD(Rho)x 0.9817459E-13 GRAD(Rho)y -0.2451511E-13 GRAD(Rho)z 0.1203554E-12 Laplacian 0.5809996E+00 (-1/4)Del**2(Rho)) -0.1452499E+00 Diamond 0.1140960E+01 Metallicity 0.4733773E+01 Ellipticity 0.2016053E-01 Gb(Abramov) 0.2114299E+00 Vb(Abramov) -0.2776100E+00 Hb(Abramov) -0.6618003E-01 Ex_ueg -0.5613940E-01 Ec_ueg -0.8109212E-02 Delta_ex -0.6198581E-01 Delta_ec 0.1510906E-01 Delta_et -0.2006390E+00 Pxc 0.6922916E+01 Qxc -0.4102558E+01 3,-1 104 3 -1 1.702649 2.974484 0.717458 Rho 0.1259708E+00 |GRAD(Rho)| 0.7188587E-15 GRAD(Rho)x -0.6672587E-15 GRAD(Rho)y -0.1421321E-15 GRAD(Rho)z 0.2265440E-15 Laplacian 0.5461873E+00 (-1/4)Del**2(Rho)) -0.1365468E+00 Diamond 0.9307382E+00 Metallicity 0.3993819E+01 Ellipticity 0.1497723E-01 Gb(Abramov) 0.1819218E+00 Vb(Abramov) -0.2272967E+00 Hb(Abramov) -0.4537493E-01 Ex_ueg -0.4663856E-01 Ec_ueg -0.6923550E-02 Delta_ex -0.5663844E-01 Delta_ec 0.1520504E-01 Delta_et -0.1983869E+00 Pxc 0.6736220E+01 Qxc -0.3724978E+01 3,-1 105 3 -1 1.952843 0.561714 2.782882 Rho 0.8703001E-01 |GRAD(Rho)| 0.4917762E-10 GRAD(Rho)x -0.3698847E-10 GRAD(Rho)y 0.2878433E-10 GRAD(Rho)z 0.1489140E-10 Laplacian 0.3806166E+00 (-1/4)Del**2(Rho)) -0.9515416E-01 Diamond 0.4182644E+00 Metallicity 0.3094381E+01 Ellipticity 0.5005203E-01 Gb(Abramov) 0.1125100E+00 Vb(Abramov) -0.1298658E+00 Hb(Abramov) -0.1735582E-01 Ex_ueg -0.2848462E-01 Ec_ueg -0.4546321E-02 Delta_ex -0.3629310E-01 Delta_ec 0.1159871E-01 Delta_et -0.1406326E+00 Pxc 0.6265422E+01 Qxc -0.3129063E+01 3,-1 106 3 -1 2.174496 0.788528 -2.906324 Rho 0.1801559E+00 |GRAD(Rho)| 0.1019285E-11 GRAD(Rho)x 0.7657794E-12 GRAD(Rho)y -0.4491167E-12 GRAD(Rho)z 0.5008175E-12 Laplacian 0.6902754E+00 (-1/4)Del**2(Rho)) -0.1725688E+00 Diamond 0.1738435E+01 Metallicity 0.5736827E+01 Ellipticity 0.6450775E-01 Gb(Abramov) 0.2800455E+00 Vb(Abramov) -0.3875222E+00 Hb(Abramov) -0.1074767E+00 Ex_ueg -0.7514784E-01 Ec_ueg -0.1040113E-01 Delta_ex -0.7754927E-01 Delta_ec 0.1664811E-01 Delta_et -0.2264551E+00 Pxc 0.7224967E+01 Qxc -0.4658142E+01 3,-1 107 3 -1 3.033682 2.182038 -0.758762 Rho 0.7919897E-01 |GRAD(Rho)| 0.1966222E-13 GRAD(Rho)x -0.8419284E-14 GRAD(Rho)y 0.1168254E-13 GRAD(Rho)z 0.1338795E-13 Laplacian 0.3417380E+00 (-1/4)Del**2(Rho)) -0.8543449E-01 Diamond 0.3344983E+00 Metallicity 0.2945229E+01 Ellipticity 0.2891676E-01 Gb(Abramov) 0.9889369E-01 Vb(Abramov) -0.1123529E+00 Hb(Abramov) -0.1345920E-01 Ex_ueg -0.2511951E-01 Ec_ueg -0.4083311E-02 Delta_ex -0.3189441E-01 Delta_ec 0.1059398E-01 Delta_et -0.1257142E+00 Pxc 0.6151750E+01 Qxc -0.3010618E+01 3,-1 108 3 -1 2.947267 -3.331723 -0.133998 Rho 0.2312471E+00 |GRAD(Rho)| 0.5294439E-08 GRAD(Rho)x 0.3768908E-08 GRAD(Rho)y -0.3588330E-08 GRAD(Rho)z -0.9748370E-09 Laplacian 0.8621498E+00 (-1/4)Del**2(Rho)) -0.2155374E+00 Diamond 0.2905168E+01 Metallicity 0.6963449E+01 Ellipticity 0.2265645E-01 Gb(Abramov) 0.3938390E+00 Vb(Abramov) -0.5721405E+00 Hb(Abramov) -0.1783015E+00 Ex_ueg -0.1048303E+00 Ec_ueg -0.1383615E-01 Delta_ex -0.1031017E+00 Delta_ec 0.1914804E-01 Delta_et -0.2644006E+00 Pxc 0.7576551E+01 Qxc -0.5384453E+01 3,-1 109 3 -1 2.851130 -2.072572 0.725683 Rho 0.1069783E+00 |GRAD(Rho)| 0.1386957E-13 GRAD(Rho)x 0.1138276E-13 GRAD(Rho)y -0.7382387E-14 GRAD(Rho)z -0.2880637E-14 Laplacian 0.4298708E+00 (-1/4)Del**2(Rho)) -0.1074677E+00 Diamond 0.5707028E+00 Metallicity 0.3864574E+01 Ellipticity 0.9252321E-02 Gb(Abramov) 0.1408646E+00 Vb(Abramov) -0.1742616E+00 Hb(Abramov) -0.3339692E-01 Ex_ueg -0.3750705E-01 Ec_ueg -0.5749680E-02 Delta_ex -0.4241393E-01 Delta_ec 0.1155035E-01 Delta_et -0.1450189E+00 Pxc 0.6523328E+01 Qxc -0.3672092E+01 3,-1 110 3 -1 2.746399 2.002575 0.604318 Rho 0.1273402E+00 |GRAD(Rho)| 0.2076346E-15 GRAD(Rho)x -0.8027839E-16 GRAD(Rho)y 0.5334275E-16 GRAD(Rho)z 0.1839078E-15 Laplacian 0.5422188E+00 (-1/4)Del**2(Rho)) -0.1355547E+00 Diamond 0.9251239E+00 Metallicity 0.4096201E+01 Ellipticity 0.4221416E-01 Gb(Abramov) 0.1829130E+00 Vb(Abramov) -0.2302713E+00 Hb(Abramov) -0.4735831E-01 Ex_ueg -0.4731576E-01 Ec_ueg -0.7009159E-02 Delta_ex -0.5623595E-01 Delta_ec 0.1481479E-01 Delta_et -0.1932485E+00 Pxc 0.6750562E+01 Qxc -0.3795932E+01 3,-1 111 3 -1 3.098567 -0.867040 1.850226 Rho 0.1481566E+00 |GRAD(Rho)| 0.1628199E-13 GRAD(Rho)x -0.3992575E-15 GRAD(Rho)y 0.1559129E-13 GRAD(Rho)z -0.4674998E-14 Laplacian 0.5831197E+00 (-1/4)Del**2(Rho)) -0.1457799E+00 Diamond 0.1187542E+01 Metallicity 0.4902196E+01 Ellipticity 0.2423224E-01 Gb(Abramov) 0.2162936E+00 Vb(Abramov) -0.2868072E+00 Hb(Abramov) -0.7051365E-01 Ex_ueg -0.5790018E-01 Ec_ueg -0.8325617E-02 Delta_ex -0.6266732E-01 Delta_ec 0.1526127E-01 Delta_et -0.2037590E+00 Pxc 0.6954461E+01 Qxc -0.4106298E+01 3,-1 112 3 -1 3.027450 3.510829 0.097784 Rho 0.2167529E+00 |GRAD(Rho)| 0.1248930E-14 GRAD(Rho)x -0.9293781E-15 GRAD(Rho)y 0.2417771E-15 GRAD(Rho)z -0.7985149E-15 Laplacian 0.7911540E+00 (-1/4)Del**2(Rho)) -0.1977885E+00 Diamond 0.2481049E+01 Metallicity 0.6812298E+01 Ellipticity 0.9210466E-02 Gb(Abramov) 0.3564247E+00 Vb(Abramov) -0.5150609E+00 Hb(Abramov) -0.1586362E+00 Ex_ueg -0.9616232E-01 Ec_ueg -0.1284693E-01 Delta_ex -0.9312710E-01 Delta_ec 0.1806337E-01 Delta_et -0.2492486E+00 Pxc 0.7485237E+01 Qxc -0.5155577E+01 3,-1 113 3 +1 1.073526 1.123358 -2.210003 Rho 0.2919733E-01 |GRAD(Rho)| 0.9616132E-14 GRAD(Rho)x -0.5280942E-14 GRAD(Rho)y 0.6949142E-14 GRAD(Rho)z -0.4036219E-14 Laplacian 0.1192797E+00 (-1/4)Del**2(Rho)) -0.2981992E-01 Diamond 0.1977768E-01 Metallicity 0.1599382E+01 Ellipticity -0.4670079E+01 Gb(Abramov) 0.2782885E-01 Vb(Abramov) -0.2583778E-01 Hb(Abramov) 0.1991068E-02 Ex_ueg -0.6640121E-02 Ec_ueg -0.1302279E-02 Delta_ex -0.7774635E-02 Delta_ec 0.2096416E-02 Delta_et -0.1920371E-01 Pxc 0.5098845E+01 Qxc -0.3708537E+01 3,+1 114 3 -1 3.517033 0.095332 -3.011230 Rho 0.2374643E+00 |GRAD(Rho)| 0.4794181E-15 GRAD(Rho)x 0.1596488E-15 GRAD(Rho)y -0.1419763E-15 GRAD(Rho)z -0.4291814E-15 Laplacian 0.8718033E+00 (-1/4)Del**2(Rho)) -0.2179508E+00 Diamond 0.3032098E+01 Metallicity 0.7197667E+01 Ellipticity 0.6824140E-02 Gb(Abramov) 0.4067568E+00 Vb(Abramov) -0.5955628E+00 Hb(Abramov) -0.1888060E+00 Ex_ueg -0.1086049E+00 Ec_ueg -0.1426400E-01 Delta_ex -0.1049748E+00 Delta_ec 0.1920327E-01 Delta_et -0.2653923E+00 Pxc 0.7613915E+01 Qxc -0.5466510E+01 3,-1 115 3 -1 3.516375 0.070441 3.052242 Rho 0.2150865E+00 |GRAD(Rho)| 0.5097797E-16 GRAD(Rho)x 0.2331035E-16 GRAD(Rho)y 0.1338990E-16 GRAD(Rho)z -0.4331388E-16 Laplacian 0.7906706E+00 (-1/4)Del**2(Rho)) -0.1976676E+00 Diamond 0.2457579E+01 Metallicity 0.6729345E+01 Ellipticity 0.3492397E-02 Gb(Abramov) 0.3534741E+00 Vb(Abramov) -0.5092805E+00 Hb(Abramov) -0.1558064E+00 Ex_ueg -0.9517785E-01 Ec_ueg -0.1273394E-01 Delta_ex -0.9289105E-01 Delta_ec 0.1810219E-01 Delta_et -0.2497040E+00 Pxc 0.7474344E+01 Qxc -0.5131480E+01 3,-1 116 3 -1 -3.268169 -0.080780 3.111048 Rho 0.2405719E+00 |GRAD(Rho)| 0.1131544E-12 GRAD(Rho)x 0.7928348E-13 GRAD(Rho)y 0.2104276E-13 GRAD(Rho)z -0.7794394E-13 Laplacian 0.8988500E+00 (-1/4)Del**2(Rho)) -0.2247125E+00 Diamond 0.3162258E+01 Metallicity 0.7134016E+01 Ellipticity 0.5281578E-02 Gb(Abramov) 0.4169921E+00 Vb(Abramov) -0.6092717E+00 Hb(Abramov) -0.1922796E+00 Ex_ueg -0.1105041E+00 Ec_ueg -0.1447866E-01 Delta_ex -0.1085298E+00 Delta_ec 0.1959756E-01 Delta_et -0.2703979E+00 Pxc 0.7632204E+01 Qxc -0.5537923E+01 3,-1 117 3 -1 -3.042079 0.880967 1.933047 Rho 0.1319735E+00 |GRAD(Rho)| 0.2568193E-14 GRAD(Rho)x 0.8962015E-15 GRAD(Rho)y -0.1935138E-14 GRAD(Rho)z 0.1430971E-14 Laplacian 0.5019390E+00 (-1/4)Del**2(Rho)) -0.1254848E+00 Diamond 0.8774134E+00 Metallicity 0.4696490E+01 Ellipticity 0.5406836E-02 Gb(Abramov) 0.1818795E+00 Vb(Abramov) -0.2382742E+00 Hb(Abramov) -0.5639473E-01 Ex_ueg -0.4962502E-01 Ec_ueg -0.7299748E-02 Delta_ex -0.5230948E-01 Delta_ec 0.1325009E-01 Delta_et -0.1732462E+00 Pxc 0.6798182E+01 Qxc -0.3947859E+01 3,-1 118 3 -1 -2.149697 -1.093204 -0.049889 Rho 0.6666004E-01 |GRAD(Rho)| 0.1268793E-15 GRAD(Rho)x -0.1914244E-16 GRAD(Rho)y -0.1953581E-17 GRAD(Rho)z -0.1254117E-15 Laplacian 0.1358923E+00 (-1/4)Del**2(Rho)) -0.3397308E-01 Diamond 0.1833941E+00 Metallicity 0.5557261E+01 Ellipticity 0.1054295E-01 Gb(Abramov) 0.5411494E-01 Vb(Abramov) -0.7425679E-01 Hb(Abramov) -0.2014185E-01 Ex_ueg -0.1996208E-01 Ec_ueg -0.3354610E-02 Delta_ex -0.1443008E-01 Delta_ec 0.8316836E-02 Delta_et -0.9681420E-01 Pxc 0.5950640E+01 Qxc -0.1735044E+01 3,-1 119 3 -1 -0.599763 1.476867 -2.929370 Rho 0.2251283E+00 |GRAD(Rho)| 0.7425568E-11 GRAD(Rho)x -0.3942608E-11 GRAD(Rho)y -0.5716422E-11 GRAD(Rho)z -0.2630101E-11 Laplacian 0.8789186E+00 (-1/4)Del**2(Rho)) -0.2197296E+00 Diamond 0.2837153E+01 Metallicity 0.6532028E+01 Ellipticity 0.1929655E-01 Gb(Abramov) 0.3856998E+00 Vb(Abramov) -0.5516699E+00 Hb(Abramov) -0.1659701E+00 Ex_ueg -0.1011483E+00 Ec_ueg -0.1341714E-01 Delta_ex -0.1042003E+00 Delta_ec 0.1935756E-01 Delta_et -0.2656805E+00 Pxc 0.7538738E+01 Qxc -0.5382926E+01 3,-1 120 3 -1 -0.505904 1.702534 1.850387 Rho 0.3807150E-01 |GRAD(Rho)| 0.2848318E-12 GRAD(Rho)x 0.2189887E-12 GRAD(Rho)y 0.1679916E-12 GRAD(Rho)z -0.7036981E-13 Laplacian 0.1431442E+00 (-1/4)Del**2(Rho)) -0.3578606E-01 Diamond 0.4819090E-01 Metallicity 0.2074146E+01 Ellipticity 0.6073248E-01 Gb(Abramov) 0.3622829E-01 Vb(Abramov) -0.3667053E-01 Hb(Abramov) -0.4422345E-03 Ex_ueg -0.9459143E-02 Ec_ueg -0.1766985E-02 Delta_ex -0.1089062E-01 Delta_ec 0.4062542E-02 Delta_et -0.3982134E-01 Pxc 0.5353267E+01 Qxc -0.2680741E+01 3,-1 121 3 -1 -0.191720 2.869893 -3.270290 Rho 0.2298086E+00 |GRAD(Rho)| 0.4583384E-14 GRAD(Rho)x 0.4559341E-15 GRAD(Rho)y -0.3096590E-14 GRAD(Rho)z 0.3348233E-14 Laplacian 0.8580394E+00 (-1/4)Del**2(Rho)) -0.2145098E+00 Diamond 0.2869511E+01 Metallicity 0.6924417E+01 Ellipticity 0.2211936E-01 Gb(Abramov) 0.3905658E+00 Vb(Abramov) -0.5666218E+00 Hb(Abramov) -0.1760560E+00 Ex_ueg -0.1039617E+00 Ec_ueg -0.1373746E-01 Delta_ex -0.1024427E+00 Delta_ec 0.1908968E-01 Delta_et -0.2635176E+00 Pxc 0.7567756E+01 Qxc -0.5366391E+01 3,-1 122 3 -1 0.124609 3.067094 3.478076 Rho 0.2405336E+00 |GRAD(Rho)| 0.1146622E-10 GRAD(Rho)x 0.1764503E-11 GRAD(Rho)y 0.7207613E-11 GRAD(Rho)z 0.8741341E-11 Laplacian 0.8715452E+00 (-1/4)Del**2(Rho)) -0.2178863E+00 Diamond 0.3091589E+01 Metallicity 0.7355567E+01 Ellipticity 0.3039246E-02 Gb(Abramov) 0.4123704E+00 Vb(Abramov) -0.6068545E+00 Hb(Abramov) -0.1944841E+00 Ex_ueg -0.1104806E+00 Ec_ueg -0.1447601E-01 Delta_ex -0.1053664E+00 Delta_ec 0.1924932E-01 Delta_et -0.2666957E+00 Pxc 0.7631981E+01 Qxc -0.5473774E+01 3,-1 123 3 -1 2.536570 -1.900692 -0.668843 Rho 0.9712223E-01 |GRAD(Rho)| 0.3038998E-15 GRAD(Rho)x -0.4757615E-16 GRAD(Rho)y -0.2946929E-15 GRAD(Rho)z 0.5698838E-16 Laplacian 0.4061468E+00 (-1/4)Del**2(Rho)) -0.1015367E+00 Diamond 0.4954734E+00 Metallicity 0.3481725E+01 Ellipticity 0.3042572E-01 Gb(Abramov) 0.1266116E+00 Vb(Abramov) -0.1516865E+00 Hb(Abramov) -0.2507492E-01 Ex_ueg -0.3297185E-01 Ec_ueg -0.5151059E-02 Delta_ex -0.3945162E-01 Delta_ec 0.1164676E-01 Delta_et -0.1441215E+00 Pxc 0.6400984E+01 Qxc -0.3387347E+01 3,-1 124 3 -1 2.917365 0.663096 1.758190 Rho 0.1424750E+00 |GRAD(Rho)| 0.3901089E-15 GRAD(Rho)x -0.4277516E-16 GRAD(Rho)y 0.2943609E-15 GRAD(Rho)z -0.2524023E-15 Laplacian 0.6083321E+00 (-1/4)Del**2(Rho)) -0.1520830E+00 Diamond 0.1186528E+01 Metallicity 0.4402540E+01 Ellipticity 0.9478296E-02 Gb(Abramov) 0.2129806E+00 Vb(Abramov) -0.2738782E+00 Hb(Abramov) -0.6089760E-01 Ex_ueg -0.5495870E-01 Ec_ueg -0.7963557E-02 Delta_ex -0.6480558E-01 Delta_ec 0.1615857E-01 Delta_et -0.2146463E+00 Pxc 0.6901276E+01 Qxc -0.4010601E+01 3,-1 125 3 -1 3.267598 1.044974 -1.853980 Rho 0.2006315E+00 |GRAD(Rho)| 0.1603299E-15 GRAD(Rho)x 0.7120498E-16 GRAD(Rho)y -0.1924459E-16 GRAD(Rho)z -0.1423557E-15 Laplacian 0.7469913E+00 (-1/4)Del**2(Rho)) -0.1867478E+00 Diamond 0.2157797E+01 Metallicity 0.6343023E+01 Ellipticity 0.3996723E-01 Gb(Abramov) 0.3219228E+00 Vb(Abramov) -0.4570979E+00 Hb(Abramov) -0.1351750E+00 Ex_ueg -0.8674624E-01 Ec_ueg -0.1176029E-01 Delta_ex -0.8635724E-01 Delta_ec 0.1770496E-01 Delta_et -0.2439455E+00 Pxc 0.7376199E+01 Qxc -0.4877574E+01 3,-1 126 3 -1 0.318034 -0.588679 0.448749 Rho 0.1696728E+00 |GRAD(Rho)| 0.3821002E-15 GRAD(Rho)x -0.2810252E-15 GRAD(Rho)y -0.1786765E-15 GRAD(Rho)z 0.1873501E-15 Laplacian 0.4316299E+00 (-1/4)Del**2(Rho)) -0.1079075E+00 Diamond 0.1036565E+01 Metallicity 0.8302111E+01 Ellipticity 0.3497394E-02 Gb(Abramov) 0.2212483E+00 Vb(Abramov) -0.3345891E+00 Hb(Abramov) -0.1133408E+00 Ex_ueg -0.6937472E-01 Ec_ueg -0.9714530E-02 Delta_ex -0.4797921E-01 Delta_ec 0.1095216E-01 Delta_et -0.1490419E+00 Pxc 0.7141336E+01 Qxc -0.4380800E+01 3,-1 127 3 -1 2.218129 -0.797711 3.073294 Rho 0.9383362E-01 |GRAD(Rho)| 0.2972370E-13 GRAD(Rho)x -0.2098906E-13 GRAD(Rho)y 0.2058682E-13 GRAD(Rho)z -0.4374973E-14 Laplacian 0.3933558E+00 (-1/4)Del**2(Rho)) -0.9833896E-01 Diamond 0.4644476E+00 Metallicity 0.3394364E+01 Ellipticity 0.3143228E-01 Gb(Abramov) 0.1211923E+00 Vb(Abramov) -0.1440457E+00 Hb(Abramov) -0.2285338E-01 Ex_ueg -0.3149172E-01 Ec_ueg -0.4953054E-02 Delta_ex -0.3798431E-01 Delta_ec 0.1150123E-01 Delta_et -0.1414548E+00 Pxc 0.6358041E+01 Qxc -0.3302630E+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 86 78 92 89 87 108 76 119 70 121 83 67 120 122 88 95 75 77 85 123 100 109 99 112 101 110 104 107 103 50 57 58 51 61 56 48 55 117 64 116 96 115 124 105 111 127 97 98 114 125 106 126 63 45 118 82 81 52 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 13 14 14 14 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 23 36 42 36 36 42 2.355192 1.979893 1.861548 1.971789 1.787992 1.757457 2.314705 1.767626 1.930437 1.759993 2.133183 2.057780 2.493730 1.742933 1.834792 1.904254 1.968490 2.060772 2.351330 2.079320 1.768154 2.061906 1.953443 1.783618 2.704615 1.975886 1.973078 2.158913 1.936477 1.784230 2.414483 1.965649 1.950767 1.876682 2.352565 1.919096 1.928126 1.978863 1.958653 1.742042 2.587572 1.786447 1.929369 2.119208 1.927545 2.101301 2.466876 1.851976 1.746992 1.810079 1.852891 1.737795 3.131243 1.673240 1.562318 1.726057 1.752758 1.031278 2.357120 1.980130 1.861650 1.972256 1.787999 1.757482 2.316041 1.767786 1.930624 1.760021 2.133948 2.058276 2.495011 1.742942 1.835104 1.904538 1.969123 2.061587 2.352631 2.079522 1.768290 2.062449 1.953989 1.783617 2.707202 1.976041 1.973398 2.159586 1.936929 1.784237 2.416575 1.965835 1.951153 1.876846 2.353847 1.920260 1.928376 1.979503 1.959271 1.742054 2.589097 1.786457 1.929579 2.119404 1.927905 2.101939 2.468854 1.852199 1.746999 1.810274 1.853406 1.737832 3.186515 1.673289 1.565883 1.726158 1.752782 1.031344 27 26 26 27 24 22 27 24 24 24 26 25 29 24 24 27 25 26 27 25 24 24 26 22 31 25 24 25 24 26 32 28 26 29 30 26 26 25 26 23 31 24 26 25 24 27 30 24 22 27 22 24 35 23 22 23 23 20 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 W W W Ta Ta O O W Ta W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O H 2.2396 -0.8391 2.3582 2.4551 2.3408 2.2033 2.2600 -0.9213 -0.9187 2.4640 2.1957 2.4400 -1.1025 -0.8860 -1.0760 -1.0990 -0.8058 -0.9903 -0.9278 -1.0192 -0.8099 -0.9433 -0.8256 -1.0159 -1.0346 -0.8449 -0.9907 -0.8249 -1.0308 -0.8218 -0.9466 -1.0121 -1.0073 -0.9788 -0.9901 2.2216 -0.7990 -1.0026 -1.0229 -1.0387 -0.9258 0.2739 2.1066 1.9553 2.1378 2.1082 2.1395 2.1197 2.0975 1.9460 1.9469 2.1167 2.1233 2.0894 1.9299 1.9536 1.9354 1.9260 1.8784 1.9288 1.9440 1.9236 1.9637 1.9371 1.9547 1.9238 1.9232 1.9550 1.9287 1.9551 1.9335 1.9627 1.9498 1.9359 1.9395 1.9427 1.9398 0.8846 1.9632 1.9405 1.9351 1.9320 1.9454 0.5443 6.0669 4.8514 6.1115 6.0988 6.1156 6.0829 6.0626 4.9473 4.9436 6.0996 6.0803 6.1049 5.1390 4.8972 5.1062 5.1400 4.8965 5.0325 4.9563 5.0703 4.8115 4.9764 4.8390 5.0669 5.0859 4.8579 5.0331 4.8378 5.0716 4.8245 4.9614 5.0464 5.0372 5.0037 5.0201 1.3397 4.8010 5.0304 5.0577 5.0814 4.9527 0.1818 2.5549 0.0324 3.3637 3.3090 3.3753 2.5608 2.5479 0.0279 0.0282 3.2907 2.5676 3.3383 0.0336 0.0352 0.0345 0.0330 0.0309 0.0290 0.0275 0.0254 0.0347 0.0299 0.0318 0.0252 0.0255 0.0321 0.0290 0.0320 0.0258 0.0346 0.0355 0.0298 0.0307 0.0324 0.0302 10.5541 0.0348 0.0316 0.0301 0.0253 0.0277 0.0000 14.0320 0.0000 14.0288 14.0290 14.0287 14.0333 14.0320 0.0000 0.0000 14.0291 14.0331 14.0274 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 W W W Ta Ta O O W Ta W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O H 2.307452 -0.893711 2.474844 2.494772 2.472598 2.344849 2.310062 -0.994159 -0.992235 2.513155 2.341301 2.434612 -1.108570 -0.894292 -1.093174 -1.113880 -0.661518 -0.987117 -1.006704 -1.038313 -0.847221 -0.963943 -0.896124 -1.018795 -1.030458 -0.900646 -1.000315 -0.898773 -1.038989 -0.864184 -0.939411 -1.001556 -1.004282 -0.963571 -0.972654 2.291946 -0.837888 -0.987942 -1.011532 -1.044577 -1.003084 0.024028 1.835385 -0.801272 1.939663 1.937884 1.943357 1.838992 1.834244 -0.922269 -0.913172 1.952849 1.840297 1.922641 -0.759417 -0.772571 -0.757408 -0.767525 -0.785625 -0.740008 -0.937419 -0.783172 -0.750357 -0.740746 -0.811245 -0.756781 -0.769553 -0.811003 -0.763556 -0.811684 -0.870832 -0.758196 -0.788334 -0.821606 -0.862466 -0.796413 -0.786790 1.719719 -0.727787 -0.842282 -0.832817 -0.867673 -0.925926 0.270872 1.979479 -0.779143 2.031193 2.041009 2.037175 1.944053 1.964726 -0.896179 -0.913430 2.054340 1.943528 2.038804 -0.830803 -0.789304 -0.843126 -0.834548 -0.845716 -0.832875 -0.911081 -0.880481 -0.711330 -0.810755 -0.807819 -0.861347 -0.871899 -0.789040 -0.844233 -0.819502 -0.933082 -0.750527 -0.795356 -0.865855 -0.884499 -0.831861 -0.859283 1.716426 -0.710330 -0.868120 -0.889097 -0.940320 -0.929318 0.379525 -19.70361975 -16.02050035 -17.70949811 30.95989964 1.35198914 32.18376807 5.12917042 -8.35829012 40.75612513 7.00630098 -294.5682 333.6500 -34.0267 -331.6930 -44.7507 -371.3886 Jun19-2024 18:04:25 Nodes: 1 Procs: 1 Jun19-2024 18:04:31 Nodes: 1 Procs: 1 0 Jun19-2024 18:04:39 Nodes: 1 Procs: 1 Jun19-2024 18:04:42 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 18:04:47 Nodes: 1 Procs: 1 Jun19-2024 18:04:51 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 18:04:55 Nodes: 1 Procs: 1 Jun19-2024 18:04:58 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun19-2024 18:05:03 Nodes: 1 Procs: 1 Jun19-2024 18:05:05 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 18:05:09 Nodes: 1 Procs: 5 *** (NO TITLE) *** -6 -13.14025121 -13.44781597 -13.42639504 -13.41276866 -13.52246153 -13.57797689 -13.59999345 -13.60739898 -13.61763438 -13.62114404 -13.62530145 -13.62738485 -13.62979927 -13.63122217 -13.63454745 -13.63458071 -13.62861020 -13.63314334 -13.64047547 -13.63779282 -13.64146337 -13.63681123 -13.64479421 -13.64269293 -13.64479005 -13.64588212 -13.64689132 -13.64727294 -13.64760832 -13.64770812 -13.64784357 -13.64797769 -13.64807812 -13.64814267 -13.64816984 -13.64819351 -13.64823779 -13.64825909 -13.64828160 GEOMETRY CONVERGED