ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Nov02-2023 13:48:29 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.33 0.01 0.38 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 Nov02-2023 13:48:29 Nodes: 1 Procs: 1 Nov02-2023 13:48:29 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Nov02-2023 13:48:30 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.54 0.03 0.60 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Nov02-2023 13:48:29 Nodes: 1 Procs: 1 Nov02-2023 13:48:29 Nodes: 1 Procs: 1 0 Nov02-2023 13:48:30 Nodes: 1 Procs: 1 Nov02-2023 13:48:30 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Nov02-2023 13:48:31 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.41 0.03 0.47 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Nov02-2023 13:48:29 Nodes: 1 Procs: 1 Nov02-2023 13:48:29 Nodes: 1 Procs: 1 0 Nov02-2023 13:48:30 Nodes: 1 Procs: 1 Nov02-2023 13:48:30 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Nov02-2023 13:48:31 Nodes: 1 Procs: 1 Nov02-2023 13:48:31 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Nov02-2023 13:48:31 Hydrogen (TZP) kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.18 0.04 1.27 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 Nov02-2023 13:48:29 Nodes: 1 Procs: 1 Nov02-2023 13:48:29 Nodes: 1 Procs: 1 0 Nov02-2023 13:48:30 Nodes: 1 Procs: 1 Nov02-2023 13:48:30 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Nov02-2023 13:48:31 Nodes: 1 Procs: 1 Nov02-2023 13:48:31 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Nov02-2023 13:48:31 Nodes: 1 Procs: 1 Nov02-2023 13:48:32 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Nov02-2023 13:48:34 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2677.190361000006 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019 Nov02-2023 13:48:32 1 1 Tungsten TZP 4d t21.P ADF 2019 Nov02-2023 13:48:30 1 1 Phosphorus TZP 1s t21.O ADF 2019 Nov02-2023 13:48:31 1 1 Oxygen TZP 1s t21.H ADF 2019 Nov02-2023 13:48:29 1 1 Hydrogen TZP 1 1 -16.88806362 0.02148925 0.00100000 F 0.00613708 0.00066667 F 0.02148925 0.00613708 0.02334894 0.01000000 F 0.00465365 0.00666667 T Cartesian 2677.190361000006 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0.195660 -3.776830 3.716052 -0.205792 -3.834053 -3.661569 0.236188 -3.851636 0.317909 -3.633456 -3.746910 -0.187552 3.795676 3.739848 0.168765 3.773598 -0.528223 -3.381111 -1.284678 1 3 -3 0.085210 -2.556181 2.566427 Rho 0.4361414E+07 3,-3 2 3 -3 0.104166 2.506996 -2.514965 Rho 0.4361414E+07 3,-3 3 3 -3 -0.077527 2.556493 2.515858 Rho 0.4361415E+07 3,-3 4 3 -3 2.421808 -2.627654 -0.008763 Rho 0.4361415E+07 3,-3 5 3 -3 2.600671 2.523234 -0.125559 Rho 0.4361415E+07 3,-3 6 3 -3 -2.572391 2.483718 0.068431 Rho 0.4361414E+07 3,-3 7 3 -3 -2.571482 -2.516174 -0.104317 Rho 0.4361415E+07 3,-3 8 3 -3 -2.492037 -0.236871 -2.675999 Rho 0.4361415E+07 3,-3 9 3 -3 -2.532830 0.118369 2.589438 Rho 0.4361414E+07 3,-3 10 3 -3 2.548098 -0.130149 2.541709 Rho 0.4361415E+07 3,-3 11 3 -3 2.483841 -0.048187 -2.645827 Rho 0.4361415E+07 3,-3 12 3 -3 -0.073266 -0.049960 -0.042202 Rho 0.2439534E+04 3,-3 13 3 -3 0.833309 -0.961451 0.854670 Rho 0.3187843E+03 3,-3 14 3 -3 -1.023740 -0.906074 -0.908526 Rho 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0.2264773E-01 (-1/4)Del**2(Rho)) -0.5661932E-02 Diamond 0.4804447E-03 Metallicity 0.5164865E+00 Ellipticity -0.1654123E+01 Gb(Abramov) 0.4262007E-02 Vb(Abramov) -0.2862081E-02 Hb(Abramov) 0.1399925E-02 Ex_ueg -0.7115872E-03 Ec_ueg -0.1671373E-03 Delta_ex -0.1050762E-02 Delta_ec 0.5434946E-03 Delta_et -0.3099903E-02 Pxc 0.4257500E+01 Qxc -0.1933344E+01 3,+1 55 3 -1 -1.785924 0.504971 -2.834892 Rho 0.1343104E+00 |GRAD(Rho)| 0.2199017E-15 GRAD(Rho)x 0.3984443E-17 GRAD(Rho)y 0.2191850E-15 GRAD(Rho)z 0.1728625E-16 Laplacian 0.5610951E+00 (-1/4)Del**2(Rho)) -0.1402738E+00 Diamond 0.1007770E+01 Metallicity 0.4326065E+01 Ellipticity 0.1426438E-01 Gb(Abramov) 0.1946547E+00 Vb(Abramov) -0.2490357E+00 Hb(Abramov) -0.5438098E-01 Ex_ueg -0.5080013E-01 Ec_ueg -0.7446854E-02 Delta_ex -0.5879253E-01 Delta_ec 0.1487413E-01 Delta_et -0.1952711E+00 Pxc 0.6821690E+01 Qxc -0.3952671E+01 3,-1 56 3 +1 -0.566316 -0.560546 1.698715 Rho 0.8326598E-02 |GRAD(Rho)| 0.1221408E-14 GRAD(Rho)x 0.3181884E-15 GRAD(Rho)y -0.1066220E-14 GRAD(Rho)z 0.5037542E-15 Laplacian 0.3458759E-01 (-1/4)Del**2(Rho)) -0.8646897E-02 Diamond 0.9227236E-03 Metallicity 0.6815100E+00 Ellipticity -0.1407907E+01 Gb(Abramov) 0.6746756E-02 Vb(Abramov) -0.4846615E-02 Hb(Abramov) 0.1900141E-02 Ex_ueg -0.1246451E-02 Ec_ueg -0.2927640E-03 Delta_ex -0.1584639E-02 Delta_ec 0.5177602E-03 Delta_et -0.3484085E-02 Pxc 0.4257528E+01 Qxc -0.3060566E+01 3,+1 57 3 +1 -1.714500 -0.506987 0.575974 Rho 0.9489710E-02 |GRAD(Rho)| 0.1022621E-16 GRAD(Rho)x 0.4611393E-17 GRAD(Rho)y 0.6363904E-17 GRAD(Rho)z 0.6543018E-17 Laplacian 0.4007700E-01 (-1/4)Del**2(Rho)) -0.1001925E-01 Diamond 0.1295588E-02 Metallicity 0.7313739E+00 Ellipticity -0.1457998E+01 Gb(Abramov) 0.7900803E-02 Vb(Abramov) -0.5782356E-02 Hb(Abramov) 0.2118447E-02 Ex_ueg -0.1483846E-02 Ec_ueg -0.3449619E-03 Delta_ex -0.1904534E-02 Delta_ec 0.6126019E-03 Delta_et -0.4255838E-02 Pxc 0.4301479E+01 Qxc -0.3108925E+01 3,+1 58 3 -1 -1.984415 -3.072655 -0.726824 Rho 0.1536740E+00 |GRAD(Rho)| 0.1952346E-14 GRAD(Rho)x -0.1175546E-14 GRAD(Rho)y 0.8277206E-15 GRAD(Rho)z 0.1320843E-14 Laplacian 0.5783856E+00 (-1/4)Del**2(Rho)) -0.1445964E+00 Diamond 0.1233344E+01 Metallicity 0.5252867E+01 Ellipticity 0.1156308E+00 Gb(Abramov) 0.2229885E+00 Vb(Abramov) -0.3013807E+00 Hb(Abramov) -0.7839215E-01 Ex_ueg -0.6079282E-01 Ec_ueg -0.8679117E-02 Delta_ex -0.6274166E-01 Delta_ec 0.1504616E-01 Delta_et -0.2020568E+00 Pxc 0.7004494E+01 Qxc -0.4169945E+01 3,-1 59 3 +1 -1.765013 1.732472 -1.737705 Rho 0.1174610E-01 |GRAD(Rho)| 0.9665574E-17 GRAD(Rho)x -0.9309906E-17 GRAD(Rho)y -0.8456335E-18 GRAD(Rho)z 0.2456395E-17 Laplacian 0.5743916E-01 (-1/4)Del**2(Rho)) -0.1435979E-01 Diamond 0.2244600E-02 Metallicity 0.7281617E+00 Ellipticity -0.1283317E+01 Gb(Abramov) 0.1131590E-01 Vb(Abramov) -0.8272013E-02 Hb(Abramov) 0.3043888E-02 Ex_ueg -0.1972014E-02 Ec_ueg -0.4478607E-03 Delta_ex -0.2810348E-02 Delta_ec 0.7506103E-03 Delta_et -0.5595009E-02 Pxc 0.4403185E+01 Qxc -0.3744084E+01 3,+1 60 3 +3 -1.140520 1.100176 -1.126974 Rho 0.5150885E-02 |GRAD(Rho)| 0.2811524E-10 GRAD(Rho)x 0.1574727E-10 GRAD(Rho)y -0.1696916E-10 GRAD(Rho)z 0.1595424E-10 Laplacian 0.2130410E-01 (-1/4)Del**2(Rho)) -0.5326025E-02 Diamond 0.1626249E-03 Metallicity 0.4969198E+00 Ellipticity -0.2128515E+00 Gb(Abramov) 0.3991785E-02 Vb(Abramov) -0.2657544E-02 Hb(Abramov) 0.1334241E-02 Ex_ueg -0.6569931E-03 Ec_ueg -0.1534118E-03 Delta_ex -0.7489895E-03 Delta_ec 0.1060604E-03 Delta_et -0.8087325E-03 Pxc 0.4282548E+01 Qxc -0.7061911E+01 3,+3 61 3 +1 -1.258938 2.103153 1.121578 Rho 0.2559245E-01 |GRAD(Rho)| 0.6678718E-14 GRAD(Rho)x 0.1820060E-14 GRAD(Rho)y -0.6228413E-14 GRAD(Rho)z -0.1580992E-14 Laplacian 0.1024207E+00 (-1/4)Del**2(Rho)) -0.2560517E-01 Diamond 0.1475665E-01 Metallicity 0.1495358E+01 Ellipticity -0.5389203E+01 Gb(Abramov) 0.2345160E-01 Vb(Abramov) -0.2129803E-01 Hb(Abramov) 0.2153574E-02 Ex_ueg -0.5570158E-02 Ec_ueg -0.1118589E-02 Delta_ex -0.6507090E-02 Delta_ec 0.1911316E-02 Delta_et -0.1693100E-01 Pxc 0.4979628E+01 Qxc -0.3404507E+01 3,+1 62 3 +1 -2.016085 2.006573 2.038751 Rho 0.1276023E-01 |GRAD(Rho)| 0.3898826E-16 GRAD(Rho)x 0.3180084E-16 GRAD(Rho)y 0.6407716E-17 GRAD(Rho)z -0.2162711E-16 Laplacian 0.6025486E-01 (-1/4)Del**2(Rho)) -0.1506371E-01 Diamond 0.2189185E-02 Metallicity 0.7968659E+00 Ellipticity -0.1173827E+01 Gb(Abramov) 0.1204310E-01 Vb(Abramov) -0.9022492E-02 Hb(Abramov) 0.3020611E-02 Ex_ueg -0.2202232E-02 Ec_ueg -0.4947766E-03 Delta_ex -0.2893791E-02 Delta_ec 0.5741109E-03 Delta_et -0.4524262E-02 Pxc 0.4450962E+01 Qxc -0.5040474E+01 3,+1 63 3 +3 1.108819 1.067753 1.055883 Rho 0.4468874E-02 |GRAD(Rho)| 0.6861811E-15 GRAD(Rho)x 0.1450053E-16 GRAD(Rho)y 0.6845991E-15 GRAD(Rho)z -0.4425213E-16 Laplacian 0.1825873E-01 (-1/4)Del**2(Rho)) -0.4564682E-02 Diamond 0.1222468E-03 Metallicity 0.4575861E+00 Ellipticity -0.8405501E-01 Gb(Abramov) 0.3391244E-02 Vb(Abramov) -0.2217806E-02 Hb(Abramov) 0.1173438E-02 Ex_ueg -0.5436456E-03 Ec_ueg -0.1241284E-03 Delta_ex -0.6254500E-03 Delta_ec 0.1052764E-03 Delta_et -0.7447029E-03 Pxc 0.4379704E+01 Qxc -0.5941028E+01 3,+3 64 3 +1 -0.082412 2.944796 0.103476 Rho 0.5384762E-02 |GRAD(Rho)| 0.2567720E-17 GRAD(Rho)x -0.1716623E-17 GRAD(Rho)y -0.8019139E-18 GRAD(Rho)z -0.1733011E-17 Laplacian 0.2203051E-01 (-1/4)Del**2(Rho)) -0.5507628E-02 Diamond 0.6112872E-03 Metallicity 0.5174472E+00 Ellipticity -0.9782042E+01 Gb(Abramov) 0.4146737E-02 Vb(Abramov) -0.2785845E-02 Hb(Abramov) 0.1360892E-02 Ex_ueg -0.6970657E-03 Ec_ueg -0.1635081E-03 Delta_ex -0.1147947E-02 Delta_ec 0.7593277E-03 Delta_et -0.4190267E-02 Pxc 0.4263189E+01 Qxc -0.1511794E+01 3,+1 65 3 +3 -1.834537 1.821806 1.850658 Rho 0.1234824E-01 |GRAD(Rho)| 0.1165337E-16 GRAD(Rho)x -0.4583818E-17 GRAD(Rho)y 0.7765478E-17 GRAD(Rho)z -0.7381528E-17 Laplacian 0.5631677E-01 (-1/4)Del**2(Rho)) -0.1407919E-01 Diamond 0.1224147E-02 Metallicity 0.8072052E+00 Ellipticity -0.6240943E+00 Gb(Abramov) 0.1128026E-01 Vb(Abramov) -0.8481329E-02 Hb(Abramov) 0.2798931E-02 Ex_ueg -0.2107941E-02 Ec_ueg -0.4756688E-03 Delta_ex -0.2476892E-02 Delta_ec 0.1733773E-03 Delta_et -0.1731029E-02 Pxc 0.4431532E+01 Qxc -0.1428613E+02 3,+3 66 3 -1 -0.838389 2.969768 1.975920 Rho 0.1526456E+00 |GRAD(Rho)| 0.3403477E-15 GRAD(Rho)x 0.2761192E-15 GRAD(Rho)y -0.1170938E-16 GRAD(Rho)z 0.1986394E-15 Laplacian 0.6022561E+00 (-1/4)Del**2(Rho)) -0.1505640E+00 Diamond 0.1246501E+01 Metallicity 0.4988526E+01 Ellipticity 0.3958103E-01 Gb(Abramov) 0.2255581E+00 Vb(Abramov) -0.3005522E+00 Hb(Abramov) -0.7499408E-01 Ex_ueg -0.6025096E-01 Ec_ueg -0.8613082E-02 Delta_ex -0.6495677E-01 Delta_ec 0.1521649E-01 Delta_et -0.2030547E+00 Pxc 0.6995284E+01 Qxc -0.4268842E+01 3,-1 67 3 +1 0.088775 2.953722 -0.064953 Rho 0.5380868E-02 |GRAD(Rho)| 0.7319993E-17 GRAD(Rho)x -0.3877333E-17 GRAD(Rho)y 0.1372960E-17 GRAD(Rho)z -0.6055045E-17 Laplacian 0.2201409E-01 (-1/4)Del**2(Rho)) -0.5503523E-02 Diamond 0.6010307E-03 Metallicity 0.5172092E+00 Ellipticity -0.6160936E+01 Gb(Abramov) 0.4143428E-02 Vb(Abramov) -0.2783332E-02 Hb(Abramov) 0.1360096E-02 Ex_ueg -0.6963937E-03 Ec_ueg -0.1633397E-03 Delta_ex -0.1139183E-02 Delta_ec 0.7449206E-03 Delta_et -0.4114931E-02 Pxc 0.4263468E+01 Qxc -0.1529267E+01 3,+1 68 3 +3 -0.107869 -2.376771 -0.123632 Rho 0.3975335E-02 |GRAD(Rho)| 0.8158252E-15 GRAD(Rho)x -0.6497082E-15 GRAD(Rho)y 0.1764268E-15 GRAD(Rho)z 0.4607859E-15 Laplacian 0.1646486E-01 (-1/4)Del**2(Rho)) -0.4116216E-02 Diamond 0.1080453E-03 Metallicity 0.4175205E+00 Ellipticity -0.2581008E+00 Gb(Abramov) 0.3030578E-02 Vb(Abramov) -0.1944940E-02 Hb(Abramov) 0.1085638E-02 Ex_ueg -0.4651039E-03 Ec_ueg -0.1030873E-03 Delta_ex -0.5642882E-03 Delta_ec 0.1265573E-03 Delta_et -0.8029163E-03 Pxc 0.4511747E+01 Qxc -0.4458755E+01 3,+3 69 3 -1 -0.586554 -1.806396 2.819058 Rho 0.1348240E+00 |GRAD(Rho)| 0.1695307E-13 GRAD(Rho)x 0.1103496E-13 GRAD(Rho)y -0.1224289E-13 GRAD(Rho)z -0.3968349E-14 Laplacian 0.5641981E+00 (-1/4)Del**2(Rho)) -0.1410495E+00 Diamond 0.1010171E+01 Metallicity 0.4329722E+01 Ellipticity 0.8620893E-02 Gb(Abramov) 0.1958172E+00 Vb(Abramov) -0.2505849E+00 Hb(Abramov) -0.5476771E-01 Ex_ueg -0.5105926E-01 Ec_ueg -0.7479226E-02 Delta_ex -0.5908223E-01 Delta_ec 0.1478221E-01 Delta_et -0.1938724E+00 Pxc 0.6826811E+01 Qxc -0.3996847E+01 3,-1 70 3 +1 -0.640419 -1.694276 0.526797 Rho 0.8919132E-02 |GRAD(Rho)| 0.5865645E-14 GRAD(Rho)x 0.5149338E-14 GRAD(Rho)y 0.2359541E-14 GRAD(Rho)z 0.1524033E-14 Laplacian 0.3709088E-01 (-1/4)Del**2(Rho)) -0.9272720E-02 Diamond 0.1087294E-02 Metallicity 0.7126622E+00 Ellipticity -0.1435184E+01 Gb(Abramov) 0.7283200E-02 Vb(Abramov) -0.5293679E-02 Hb(Abramov) 0.1989521E-02 Ex_ueg -0.1366098E-02 Ec_ueg -0.3192815E-03 Delta_ex -0.1729132E-02 Delta_ec 0.5557588E-03 Delta_et -0.3807130E-02 Pxc 0.4278664E+01 Qxc -0.3111299E+01 3,+1 71 3 +3 -1.125206 -1.105293 1.160712 Rho 0.5107611E-02 |GRAD(Rho)| 0.6814091E-17 GRAD(Rho)x -0.2560104E-17 GRAD(Rho)y -0.5017347E-17 GRAD(Rho)z 0.3834571E-17 Laplacian 0.2116655E-01 (-1/4)Del**2(Rho)) -0.5291637E-02 Diamond 0.1618204E-03 Metallicity 0.4931657E+00 Ellipticity -0.1648750E+00 Gb(Abramov) 0.3962700E-02 Vb(Abramov) -0.2633764E-02 Hb(Abramov) 0.1328937E-02 Ex_ueg -0.6496441E-03 Ec_ueg -0.1515467E-03 Delta_ex -0.7443215E-03 Delta_ec 0.1087609E-03 Delta_et -0.8194110E-03 Pxc 0.4286759E+01 Qxc -0.6843653E+01 3,+3 72 3 +1 1.633441 -0.585978 -0.566812 Rho 0.8598673E-02 |GRAD(Rho)| 0.2691178E-12 GRAD(Rho)x -0.1005437E-12 GRAD(Rho)y -0.2440742E-12 GRAD(Rho)z -0.5237464E-13 Laplacian 0.3643598E-01 (-1/4)Del**2(Rho)) -0.9108995E-02 Diamond 0.1033826E-02 Metallicity 0.6825510E+00 Ellipticity -0.1418786E+01 Gb(Abramov) 0.7108889E-02 Vb(Abramov) -0.5108783E-02 Hb(Abramov) 0.2000106E-02 Ex_ueg -0.1301049E-02 Ec_ueg -0.3049208E-03 Delta_ex -0.1691043E-02 Delta_ec 0.5601528E-03 Delta_et -0.3789925E-02 Pxc 0.4266843E+01 Qxc -0.3018896E+01 3,+1 73 3 -1 -0.211410 -1.284811 -3.501624 Rho 0.5420814E-02 |GRAD(Rho)| 0.7522605E-15 GRAD(Rho)x -0.6985719E-15 GRAD(Rho)y 0.2374680E-15 GRAD(Rho)z 0.1466358E-15 Laplacian 0.2141438E-01 (-1/4)Del**2(Rho)) -0.5353596E-02 Diamond 0.8600068E-03 Metallicity 0.5382884E+00 Ellipticity 0.1250933E+00 Gb(Abramov) 0.4049361E-02 Vb(Abramov) -0.2745125E-02 Hb(Abramov) 0.1304236E-02 Ex_ueg -0.7032953E-03 Ec_ueg -0.1650668E-03 Delta_ex -0.1334402E-02 Delta_ec 0.1125797E-02 Delta_et -0.6083330E-02 Pxc 0.4260670E+01 Qxc -0.1185296E+01 3,-1 74 3 +3 -0.171298 -0.492824 -2.593368 Rho 0.2870786E-02 |GRAD(Rho)| 0.3248425E-17 GRAD(Rho)x -0.2466649E-17 GRAD(Rho)y -0.1920383E-17 GRAD(Rho)z -0.8831973E-18 Laplacian 0.1146921E-01 (-1/4)Del**2(Rho)) -0.2867302E-02 Diamond 0.7718613E-04 Metallicity 0.3484023E+00 Ellipticity -0.7140311E+00 Gb(Abramov) 0.2078031E-02 Vb(Abramov) -0.1288759E-02 Hb(Abramov) 0.7892717E-03 Ex_ueg -0.3013372E-03 Ec_ueg -0.5646724E-04 Delta_ex -0.4177210E-03 Delta_ec 0.1880456E-03 Delta_et -0.9355108E-03 Pxc 0.5336496E+01 Qxc -0.2221381E+01 3,+3 75 3 +3 0.005926 -0.046538 2.312365 Rho 0.4457405E-02 |GRAD(Rho)| 0.4866633E-16 GRAD(Rho)x 0.2691668E-16 GRAD(Rho)y -0.3057885E-16 GRAD(Rho)z -0.2662400E-16 Laplacian 0.1848106E-01 (-1/4)Del**2(Rho)) -0.4620265E-02 Diamond 0.1498697E-03 Metallicity 0.4501491E+00 Ellipticity -0.3087909E+00 Gb(Abramov) 0.3426811E-02 Vb(Abramov) -0.2233358E-02 Hb(Abramov) 0.1193454E-02 Ex_ueg -0.5417860E-03 Ec_ueg -0.1236380E-03 Delta_ex -0.6613802E-03 Delta_ec 0.1578929E-03 Delta_et -0.1001721E-02 Pxc 0.4382036E+01 Qxc -0.4188789E+01 3,+3 76 3 +1 0.063572 -0.091836 2.970837 Rho 0.5428963E-02 |GRAD(Rho)| 0.5232351E-14 GRAD(Rho)x 0.3557966E-14 GRAD(Rho)y -0.3832156E-14 GRAD(Rho)z 0.1815493E-15 Laplacian 0.2228165E-01 (-1/4)Del**2(Rho)) -0.5570412E-02 Diamond 0.6123777E-03 Metallicity 0.5186336E+00 Ellipticity -0.5615918E+01 Gb(Abramov) 0.4195108E-02 Vb(Abramov) -0.2819805E-02 Hb(Abramov) 0.1375304E-02 Ex_ueg -0.7047053E-03 Ec_ueg -0.1654193E-03 Delta_ex -0.1152254E-02 Delta_ec 0.7491040E-03 Delta_et -0.4150989E-02 Pxc 0.4260116E+01 Qxc -0.1538176E+01 3,+1 77 3 +1 -0.255102 -0.988638 -2.588143 Rho 0.3046602E-02 |GRAD(Rho)| 0.6392004E-17 GRAD(Rho)x -0.3987527E-17 GRAD(Rho)y 0.1958764E-19 GRAD(Rho)z 0.4995694E-17 Laplacian 0.1205715E-01 (-1/4)Del**2(Rho)) -0.3014287E-02 Diamond 0.1080866E-03 Metallicity 0.3659273E+00 Ellipticity -0.1324685E+01 Gb(Abramov) 0.2193360E-02 Vb(Abramov) -0.1372432E-02 Hb(Abramov) 0.8209274E-03 Ex_ueg -0.3261916E-03 Ec_ueg -0.6384368E-04 Delta_ex -0.4811649E-03 Delta_ec 0.2624844E-03 Delta_et -0.1276145E-02 Pxc 0.5109223E+01 Qxc -0.1833118E+01 3,+1 78 3 +1 0.281472 -1.916486 -0.717742 Rho 0.5919685E-02 |GRAD(Rho)| 0.1569694E-16 GRAD(Rho)x 0.4389325E-17 GRAD(Rho)y -0.1497215E-16 GRAD(Rho)z 0.1721171E-17 Laplacian 0.2413365E-01 (-1/4)Del**2(Rho)) -0.6033413E-02 Diamond 0.6335334E-03 Metallicity 0.5531222E+00 Ellipticity -0.2222176E+01 Gb(Abramov) 0.4578478E-02 Vb(Abramov) -0.3123543E-02 Hb(Abramov) 0.1454935E-02 Ex_ueg -0.7908908E-03 Ec_ueg -0.1867028E-03 Delta_ex -0.1186208E-02 Delta_ec 0.6636462E-03 Delta_et -0.3829352E-02 Pxc 0.4236095E+01 Qxc -0.1787411E+01 3,+1 79 3 +1 0.042254 -3.049149 0.137200 Rho 0.5093858E-02 |GRAD(Rho)| 0.3420617E-17 GRAD(Rho)x -0.2059984E-17 GRAD(Rho)y -0.3320369E-18 GRAD(Rho)z -0.2710505E-17 Laplacian 0.2079831E-01 (-1/4)Del**2(Rho)) -0.5199578E-02 Diamond 0.4919270E-03 Metallicity 0.4996468E+00 Ellipticity -0.2743375E+01 Gb(Abramov) 0.3899377E-02 Vb(Abramov) -0.2599177E-02 Hb(Abramov) 0.1300200E-02 Ex_ueg -0.6473127E-03 Ec_ueg -0.1509541E-03 Delta_ex -0.1032929E-02 Delta_ec 0.6462378E-03 Delta_et -0.3532771E-02 Pxc 0.4288142E+01 Qxc -0.1598372E+01 3,+1 80 3 -1 0.834228 -2.985926 2.030495 Rho 0.1551270E+00 |GRAD(Rho)| 0.3076798E-15 GRAD(Rho)x -0.2626480E-15 GRAD(Rho)y 0.1476819E-15 GRAD(Rho)z 0.6223320E-16 Laplacian 0.6196894E+00 (-1/4)Del**2(Rho)) -0.1549224E+00 Diamond 0.1303301E+01 Metallicity 0.4980255E+01 Ellipticity 0.5787203E-01 Gb(Abramov) 0.2318737E+00 Vb(Abramov) -0.3088251E+00 Hb(Abramov) -0.7695137E-01 Ex_ueg -0.6156045E-01 Ec_ueg -0.8772523E-02 Delta_ex -0.6706185E-01 Delta_ec 0.1551968E-01 Delta_et -0.2073713E+00 Pxc 0.7017417E+01 Qxc -0.4321085E+01 3,-1 81 3 +1 1.222775 -1.110514 2.101092 Rho 0.2292457E-01 |GRAD(Rho)| 0.3815920E-14 GRAD(Rho)x -0.8401372E-15 GRAD(Rho)y 0.3715384E-14 GRAD(Rho)z 0.2265714E-15 Laplacian 0.8784438E-01 (-1/4)Del**2(Rho)) -0.2196110E-01 Diamond 0.1040865E-01 Metallicity 0.1451224E+01 Ellipticity -0.3895573E+01 Gb(Abramov) 0.1995248E-01 Vb(Abramov) -0.1794385E-01 Hb(Abramov) 0.2008621E-02 Ex_ueg -0.4809721E-02 Ec_ueg -0.9847979E-03 Delta_ex -0.5364536E-02 Delta_ec 0.1536632E-02 Delta_et -0.1326439E-01 Pxc 0.4883968E+01 Qxc -0.3491100E+01 3,+1 82 3 -1 1.341065 -2.145945 -2.148417 Rho 0.6987934E-02 |GRAD(Rho)| 0.1493879E-14 GRAD(Rho)x 0.1086061E-14 GRAD(Rho)y 0.7168025E-15 GRAD(Rho)z 0.7337182E-15 Laplacian 0.2860406E-01 (-1/4)Del**2(Rho)) -0.7151015E-02 Diamond 0.1344838E-02 Metallicity 0.6153188E+00 Ellipticity 0.7952932E+00 Gb(Abramov) 0.5500702E-02 Vb(Abramov) -0.3850390E-02 Hb(Abramov) 0.1650313E-02 Ex_ueg -0.9866962E-03 Ec_ueg -0.2334399E-03 Delta_ex -0.1696709E-02 Delta_ec 0.1217068E-02 Delta_et -0.7184951E-02 Pxc 0.4226768E+01 Qxc -0.1394095E+01 3,-1 83 3 +1 1.982784 -2.017345 2.048634 Rho 0.1261285E-01 |GRAD(Rho)| 0.1875883E-12 GRAD(Rho)x 0.5738366E-13 GRAD(Rho)y 0.1724803E-12 GRAD(Rho)z 0.4633576E-13 Laplacian 0.5940217E-01 (-1/4)Del**2(Rho)) -0.1485054E-01 Diamond 0.2199990E-02 Metallicity 0.7928048E+00 Ellipticity -0.1206413E+01 Gb(Abramov) 0.1186262E-01 Vb(Abramov) -0.8874708E-02 Hb(Abramov) 0.2987917E-02 Ex_ueg -0.2168383E-02 Ec_ueg -0.4879337E-03 Delta_ex -0.2864304E-02 Delta_ec 0.6027358E-03 Delta_et -0.4700580E-02 Pxc 0.4444012E+01 Qxc -0.4752172E+01 3,+1 84 3 +1 0.587954 -1.528269 -1.661470 Rho 0.2826116E-02 |GRAD(Rho)| 0.1098876E-16 GRAD(Rho)x 0.6736506E-17 GRAD(Rho)y 0.8223102E-17 GRAD(Rho)z 0.2784409E-17 Laplacian 0.1103883E-01 (-1/4)Del**2(Rho)) -0.2759708E-02 Diamond 0.6816904E-04 Metallicity 0.3526469E+00 Ellipticity -0.1079533E+01 Gb(Abramov) 0.2002006E-02 Vb(Abramov) -0.1244304E-02 Hb(Abramov) 0.7577023E-03 Ex_ueg -0.2951017E-03 Ec_ueg -0.5459583E-04 Delta_ex -0.3915966E-03 Delta_ec 0.1647748E-03 Delta_et -0.8290581E-03 Pxc 0.5405206E+01 Qxc -0.2376556E+01 3,+1 85 3 +1 1.219077 -2.161735 1.098123 Rho 0.2526434E-01 |GRAD(Rho)| 0.2547958E-16 GRAD(Rho)x -0.1293585E-16 GRAD(Rho)y 0.1537671E-16 GRAD(Rho)z -0.1566620E-16 Laplacian 0.1003209E+00 (-1/4)Del**2(Rho)) -0.2508022E-01 Diamond 0.1400140E-01 Metallicity 0.1494176E+01 Ellipticity -0.4810547E+01 Gb(Abramov) 0.2296586E-01 Vb(Abramov) -0.2085149E-01 Hb(Abramov) 0.2114363E-02 Ex_ueg -0.5475145E-02 Ec_ueg -0.1102032E-02 Delta_ex -0.6330779E-02 Delta_ec 0.1834142E-02 Delta_et -0.1620241E-01 Pxc 0.4968225E+01 Qxc -0.3451630E+01 3,+1 86 3 -1 0.447432 -1.724682 1.676209 Rho 0.4064997E-01 |GRAD(Rho)| 0.4974639E-14 GRAD(Rho)x 0.3735426E-14 GRAD(Rho)y -0.1802216E-14 GRAD(Rho)z -0.2746933E-14 Laplacian 0.1601591E+00 (-1/4)Del**2(Rho)) -0.4003976E-01 Diamond 0.6059775E-01 Metallicity 0.2067737E+01 Ellipticity 0.1242028E-01 Gb(Abramov) 0.4049179E-01 Vb(Abramov) -0.4094383E-01 Hb(Abramov) -0.4520313E-03 Ex_ueg -0.1032283E-01 Ec_ueg -0.1904963E-02 Delta_ex -0.1248013E-01 Delta_ec 0.4710741E-02 Delta_et -0.4701171E-01 Pxc 0.5418913E+01 Qxc -0.2649293E+01 3,-1 87 3 -1 0.807943 -1.964866 3.007277 Rho 0.1416447E+00 |GRAD(Rho)| 0.5630324E-13 GRAD(Rho)x 0.1209048E-14 GRAD(Rho)y -0.5230130E-13 GRAD(Rho)z -0.2081267E-13 Laplacian 0.5641773E+00 (-1/4)Del**2(Rho)) -0.1410443E+00 Diamond 0.1068538E+01 Metallicity 0.4701086E+01 Ellipticity 0.3265440E-01 Gb(Abramov) 0.2045398E+00 Vb(Abramov) -0.2680353E+00 Hb(Abramov) -0.6349548E-01 Ex_ueg -0.5453210E-01 Ec_ueg -0.7910820E-02 Delta_ex -0.5975683E-01 Delta_ec 0.1454286E-01 Delta_et -0.1920559E+00 Pxc 0.6893357E+01 Qxc -0.4109016E+01 3,-1 88 3 +1 1.668833 0.520944 0.541873 Rho 0.7156917E-02 |GRAD(Rho)| 0.1824662E-15 GRAD(Rho)x -0.1813124E-15 GRAD(Rho)y 0.3717256E-17 GRAD(Rho)z -0.2014778E-16 Laplacian 0.2894687E-01 (-1/4)Del**2(Rho)) -0.7236719E-02 Diamond 0.6570072E-03 Metallicity 0.6327344E+00 Ellipticity -0.1425615E+01 Gb(Abramov) 0.5587633E-02 Vb(Abramov) -0.3938546E-02 Hb(Abramov) 0.1649086E-02 Ex_ueg -0.1018638E-02 Ec_ueg -0.2408828E-03 Delta_ex -0.1293739E-02 Delta_ec 0.4625315E-03 Delta_et -0.2967610E-02 Pxc 0.4228768E+01 Qxc -0.2797083E+01 3,+1 89 3 -1 1.969243 0.792927 -3.006561 Rho 0.1283567E+00 |GRAD(Rho)| 0.1290116E-15 GRAD(Rho)x -0.1199399E-17 GRAD(Rho)y -0.1252525E-15 GRAD(Rho)z -0.3089299E-16 Laplacian 0.4995917E+00 (-1/4)Del**2(Rho)) -0.1248979E+00 Diamond 0.8510573E+00 Metallicity 0.4505008E+01 Ellipticity 0.2081970E-01 Gb(Abramov) 0.1770430E+00 Vb(Abramov) -0.2291880E+00 Hb(Abramov) -0.5214504E-01 Ex_ueg -0.4782002E-01 Ec_ueg -0.7072788E-02 Delta_ex -0.5179659E-01 Delta_ec 0.1341630E-01 Delta_et -0.1748774E+00 Pxc 0.6761127E+01 Qxc -0.3860719E+01 3,-1 90 3 +1 1.336137 0.963071 -2.133917 Rho 0.2514229E-01 |GRAD(Rho)| 0.1461958E-15 GRAD(Rho)x 0.1007432E-15 GRAD(Rho)y -0.4598394E-16 GRAD(Rho)z -0.9544367E-16 Laplacian 0.9743969E-01 (-1/4)Del**2(Rho)) -0.2435992E-01 Diamond 0.1251722E-01 Metallicity 0.1525991E+01 Ellipticity -0.3319618E+01 Gb(Abramov) 0.2243545E-01 Vb(Abramov) -0.2051098E-01 Hb(Abramov) 0.1924471E-02 Ex_ueg -0.5439907E-02 Ec_ueg -0.1095881E-02 Delta_ex -0.6034194E-02 Delta_ec 0.1590592E-02 Delta_et -0.1407428E-01 Pxc 0.4963958E+01 Qxc -0.3793679E+01 3,+1 91 3 +1 2.106894 0.971755 -1.374973 Rho 0.2135835E-01 |GRAD(Rho)| 0.3051863E-16 GRAD(Rho)x 0.2554314E-16 GRAD(Rho)y 0.5633393E-17 GRAD(Rho)z -0.1572259E-16 Laplacian 0.8076326E-01 (-1/4)Del**2(Rho)) -0.2019082E-01 Diamond 0.8159652E-02 Metallicity 0.1402852E+01 Ellipticity -0.2790501E+01 Gb(Abramov) 0.1818133E-01 Vb(Abramov) -0.1617185E-01 Hb(Abramov) 0.2009483E-02 Ex_ueg -0.4376651E-02 Ec_ueg -0.9071708E-03 Delta_ex -0.4770860E-02 Delta_ec 0.1287639E-02 Delta_et -0.1095956E-01 Pxc 0.4824505E+01 Qxc -0.3705121E+01 3,+1 92 3 -1 1.694692 1.647938 -0.530835 Rho 0.3186826E-01 |GRAD(Rho)| 0.5864474E-15 GRAD(Rho)x 0.1481588E-16 GRAD(Rho)y 0.5348154E-15 GRAD(Rho)z -0.2401530E-15 Laplacian 0.1214163E+00 (-1/4)Del**2(Rho)) -0.3035407E-01 Diamond 0.3204242E-01 Metallicity 0.1818026E+01 Ellipticity 0.3995632E-01 Gb(Abramov) 0.2943346E-01 Vb(Abramov) -0.2851286E-01 Hb(Abramov) 0.9206076E-03 Ex_ueg -0.7462131E-02 Ec_ueg -0.1440371E-02 Delta_ex -0.8835632E-02 Delta_ec 0.3442965E-02 Delta_et -0.3216059E-01 Pxc 0.5180701E+01 Qxc -0.2566286E+01 3,-1 93 3 +1 1.753012 1.768971 1.776143 Rho 0.1253097E-01 |GRAD(Rho)| 0.5048817E-14 GRAD(Rho)x -0.4136265E-14 GRAD(Rho)y 0.2378267E-14 GRAD(Rho)z 0.1650972E-14 Laplacian 0.6279520E-01 (-1/4)Del**2(Rho)) -0.1569880E-01 Diamond 0.2630510E-02 Metallicity 0.7418697E+00 Ellipticity -0.1254441E+01 Gb(Abramov) 0.1240694E-01 Vb(Abramov) -0.9115089E-02 Hb(Abramov) 0.3291856E-02 Ex_ueg -0.2149634E-02 Ec_ueg -0.4841354E-03 Delta_ex -0.3111350E-02 Delta_ec 0.7957540E-03 Delta_et -0.6044718E-02 Pxc 0.4440150E+01 Qxc -0.3909939E+01 3,+1 94 3 +1 2.034972 2.006604 -1.994277 Rho 0.1233189E-01 |GRAD(Rho)| 0.1908313E-16 GRAD(Rho)x -0.1288175E-16 GRAD(Rho)y 0.1015026E-18 GRAD(Rho)z -0.1407893E-16 Laplacian 0.5765190E-01 (-1/4)Del**2(Rho)) -0.1441298E-01 Diamond 0.2094497E-02 Metallicity 0.7867721E+00 Ellipticity -0.1215312E+01 Gb(Abramov) 0.1149860E-01 Vb(Abramov) -0.8584234E-02 Hb(Abramov) 0.2914371E-02 Ex_ueg -0.2104220E-02 Ec_ueg -0.4749118E-03 Delta_ex -0.2769703E-02 Delta_ec 0.5972204E-03 Delta_et -0.4622502E-02 Pxc 0.4430761E+01 Qxc -0.4637657E+01 3,+1 95 3 +3 1.837619 1.781714 -1.800127 Rho 0.1178499E-01 |GRAD(Rho)| 0.7471149E-15 GRAD(Rho)x 0.2272937E-15 GRAD(Rho)y 0.6636761E-15 GRAD(Rho)z -0.2570063E-15 Laplacian 0.5342438E-01 (-1/4)Del**2(Rho)) -0.1335609E-01 Diamond 0.1105782E-02 Metallicity 0.7872069E+00 Ellipticity -0.4887988E+00 Gb(Abramov) 0.1065640E-01 Vb(Abramov) -0.7956701E-02 Hb(Abramov) 0.2699697E-02 Ex_ueg -0.1980724E-02 Ec_ueg -0.4496524E-03 Delta_ex -0.2322704E-02 Delta_ec 0.1741543E-03 Delta_et -0.1702966E-02 Pxc 0.4405011E+01 Qxc -0.1333705E+02 3,+3 96 3 +1 1.298795 2.065016 -1.045609 Rho 0.2315875E-01 |GRAD(Rho)| 0.2814017E-16 GRAD(Rho)x -0.2591042E-16 GRAD(Rho)y -0.1079986E-16 GRAD(Rho)z -0.1970324E-17 Laplacian 0.8795180E-01 (-1/4)Del**2(Rho)) -0.2198795E-01 Diamond 0.1019118E-01 Metallicity 0.1474213E+01 Ellipticity -0.3395270E+01 Gb(Abramov) 0.2006112E-01 Vb(Abramov) -0.1813429E-01 Hb(Abramov) 0.1926829E-02 Ex_ueg -0.4875343E-02 Ec_ueg -0.9964643E-03 Delta_ex -0.5340226E-02 Delta_ec 0.1457594E-02 Delta_et -0.1263643E-01 Pxc 0.4892642E+01 Qxc -0.3663725E+01 3,+1 97 3 -1 3.130132 -3.246496 -0.103495 Rho 0.2366151E+00 |GRAD(Rho)| 0.5235628E-13 GRAD(Rho)x -0.4025578E-13 GRAD(Rho)y 0.3323557E-13 GRAD(Rho)z 0.4006141E-14 Laplacian 0.8640768E+00 (-1/4)Del**2(Rho)) -0.2160192E+00 Diamond 0.3004278E+01 Metallicity 0.7218799E+01 Ellipticity 0.1365342E-01 Gb(Abramov) 0.4039127E+00 Vb(Abramov) -0.5918061E+00 Hb(Abramov) -0.1878934E+00 Ex_ueg -0.1080874E+00 Ec_ueg -0.1420544E-01 Delta_ex -0.1040122E+00 Delta_ec 0.1916929E-01 Delta_et -0.2653962E+00 Pxc 0.7608873E+01 Qxc -0.5425981E+01 3,-1 98 3 -1 3.239007 3.193416 0.047594 Rho 0.2419826E+00 |GRAD(Rho)| 0.2753014E-13 GRAD(Rho)x -0.3318634E-14 GRAD(Rho)y 0.2011444E-13 GRAD(Rho)z 0.1850148E-13 Laplacian 0.8684443E+00 (-1/4)Del**2(Rho)) -0.2171111E+00 Diamond 0.3110685E+01 Metallicity 0.7456096E+01 Ellipticity 0.5350230E-02 Gb(Abramov) 0.4145409E+00 Vb(Abramov) -0.6119707E+00 Hb(Abramov) -0.1974298E+00 Ex_ueg -0.1113689E+00 Ec_ueg -0.1457627E-01 Delta_ex -0.1051972E+00 Delta_ec 0.1921942E-01 Delta_et -0.2666586E+00 Pxc 0.7640424E+01 Qxc -0.5473486E+01 3,-1 99 3 -1 2.807726 1.814895 0.590898 Rho 0.1414631E+00 |GRAD(Rho)| 0.1553692E-15 GRAD(Rho)x 0.4601083E-16 GRAD(Rho)y 0.1104531E-15 GRAD(Rho)z -0.9910963E-16 Laplacian 0.5941177E+00 (-1/4)Del**2(Rho)) -0.1485294E+00 Diamond 0.1126847E+01 Metallicity 0.4454641E+01 Ellipticity 0.1314734E-01 Gb(Abramov) 0.2092938E+00 Vb(Abramov) -0.2700582E+00 Hb(Abramov) -0.6076439E-01 Ex_ueg -0.5443889E-01 Ec_ueg -0.7899289E-02 Delta_ex -0.6294432E-01 Delta_ec 0.1538358E-01 Delta_et -0.2032553E+00 Pxc 0.6891619E+01 Qxc -0.4091657E+01 3,-1 100 3 +1 -2.187403 -1.118751 -1.318958 Rho 0.2819868E-01 |GRAD(Rho)| 0.2140279E-16 GRAD(Rho)x -0.9972777E-17 GRAD(Rho)y -0.1885856E-16 GRAD(Rho)z 0.1725608E-17 Laplacian 0.1163203E+00 (-1/4)Del**2(Rho)) -0.2908006E-01 Diamond 0.1872377E-01 Metallicity 0.1547649E+01 Ellipticity -0.4515731E+01 Gb(Abramov) 0.2688766E-01 Vb(Abramov) -0.2469526E-01 Hb(Abramov) 0.2192401E-02 Ex_ueg -0.6339038E-02 Ec_ueg -0.1251073E-02 Delta_ex -0.7542735E-02 Delta_ec 0.2100435E-02 Delta_et -0.1907155E-01 Pxc 0.5066882E+01 Qxc -0.3591034E+01 3,+1 101 3 -1 -2.759165 0.493097 -1.839614 Rho 0.7903019E-01 |GRAD(Rho)| 0.8233037E-14 GRAD(Rho)x -0.1911991E-14 GRAD(Rho)y 0.5273173E-14 GRAD(Rho)z 0.6026677E-14 Laplacian 0.3335232E+00 (-1/4)Del**2(Rho)) -0.8338079E-01 Diamond 0.3126335E+00 Metallicity 0.3007061E+01 Ellipticity 0.6176471E-02 Gb(Abramov) 0.9737571E-01 Vb(Abramov) -0.1113706E+00 Hb(Abramov) -0.1399492E-01 Ex_ueg -0.2504816E-01 Ec_ueg -0.4073395E-02 Delta_ex -0.3080912E-01 Delta_ec 0.9801216E-02 Delta_et -0.1158404E+00 Pxc 0.6149208E+01 Qxc -0.3143398E+01 3,-1 102 3 +3 -2.368770 0.019452 0.055209 Rho 0.4959555E-02 |GRAD(Rho)| 0.1518371E-15 GRAD(Rho)x 0.1179171E-15 GRAD(Rho)y 0.7111262E-16 GRAD(Rho)z 0.6397694E-16 Laplacian 0.2084433E-01 (-1/4)Del**2(Rho)) -0.5211083E-02 Diamond 0.2120605E-03 Metallicity 0.4768294E+00 Ellipticity -0.3883877E+00 Gb(Abramov) 0.3888188E-02 Vb(Abramov) -0.2565294E-02 Hb(Abramov) 0.1322895E-02 Ex_ueg -0.6246576E-03 Ec_ueg -0.1451727E-03 Delta_ex -0.7824668E-03 Delta_ec 0.2059646E-03 Delta_et -0.1298098E-02 Pxc 0.4302858E+01 Qxc -0.3799035E+01 3,+3 103 3 -1 -3.189445 -0.046544 3.241728 Rho 0.2432134E+00 |GRAD(Rho)| 0.1922795E-11 GRAD(Rho)x 0.1341671E-11 GRAD(Rho)y 0.3492304E-12 GRAD(Rho)z -0.1332328E-11 Laplacian 0.8828340E+00 (-1/4)Del**2(Rho)) -0.2207085E+00 Diamond 0.3172002E+01 Metallicity 0.7396847E+01 Ellipticity 0.8850851E-03 Gb(Abramov) 0.4192302E+00 Vb(Abramov) -0.6177519E+00 Hb(Abramov) -0.1985217E+00 Ex_ueg -0.1121248E+00 Ec_ueg -0.1466153E-01 Delta_ex -0.1070320E+00 Delta_ec 0.1941882E-01 Delta_et -0.2690697E+00 Pxc 0.7647552E+01 Qxc -0.5511765E+01 3,-1 104 3 -1 -2.978393 0.854510 2.027982 Rho 0.1458861E+00 |GRAD(Rho)| 0.1130025E-15 GRAD(Rho)x -0.9946200E-16 GRAD(Rho)y -0.3720169E-16 GRAD(Rho)z 0.3863825E-16 Laplacian 0.5827525E+00 (-1/4)Del**2(Rho)) -0.1456881E+00 Diamond 0.1141482E+01 Metallicity 0.4780632E+01 Ellipticity 0.4279738E-01 Gb(Abramov) 0.2132056E+00 Vb(Abramov) -0.2807232E+00 Hb(Abramov) -0.6751752E-01 Ex_ueg -0.5672007E-01 Ec_ueg -0.8180685E-02 Delta_ex -0.6214962E-01 Delta_ec 0.1487547E-01 Delta_et -0.1972168E+00 Pxc 0.6933414E+01 Qxc -0.4177994E+01 3,-1 105 3 +1 -1.720842 0.534050 -0.501129 Rho 0.9698068E-02 |GRAD(Rho)| 0.6334624E-17 GRAD(Rho)x -0.1691969E-17 GRAD(Rho)y -0.1960054E-18 GRAD(Rho)z -0.6101335E-17 Laplacian 0.4091392E-01 (-1/4)Del**2(Rho)) -0.1022848E-01 Diamond 0.1371053E-02 Metallicity 0.7428208E+00 Ellipticity -0.1476295E+01 Gb(Abramov) 0.8085308E-02 Vb(Abramov) -0.5942136E-02 Hb(Abramov) 0.2143172E-02 Ex_ueg -0.1527444E-02 Ec_ueg -0.3543747E-03 Delta_ex -0.1958300E-02 Delta_ec 0.6313308E-03 Delta_et -0.4406599E-02 Pxc 0.4310252E+01 Qxc -0.3101861E+01 3,+1 106 3 -1 -2.788339 -1.781360 0.586014 Rho 0.1399601E+00 |GRAD(Rho)| 0.2361390E-15 GRAD(Rho)x -0.9238080E-16 GRAD(Rho)y 0.9725293E-16 GRAD(Rho)z 0.1943432E-15 Laplacian 0.5878647E+00 (-1/4)Del**2(Rho)) -0.1469662E+00 Diamond 0.1096319E+01 Metallicity 0.4422585E+01 Ellipticity 0.1269968E-01 Gb(Abramov) 0.2063059E+00 Vb(Abramov) -0.2656455E+00 Hb(Abramov) -0.5933968E-01 Ex_ueg -0.5366907E-01 Ec_ueg -0.7803947E-02 Delta_ex -0.6207147E-01 Delta_ec 0.1517442E-01 Delta_et -0.1999884E+00 Pxc 0.6877170E+01 Qxc -0.4090534E+01 3,-1 107 3 -1 -1.841895 -2.759219 0.608796 Rho 0.1268216E+00 |GRAD(Rho)| 0.2936198E-15 GRAD(Rho)x -0.9836424E-16 GRAD(Rho)y -0.3157739E-16 GRAD(Rho)z -0.2748453E-15 Laplacian 0.5286061E+00 (-1/4)Del**2(Rho)) -0.1321515E+00 Diamond 0.8813566E+00 Metallicity 0.4173203E+01 Ellipticity 0.1980937E-01 Gb(Abramov) 0.1800169E+00 Vb(Abramov) -0.2278822E+00 Hb(Abramov) -0.4786534E-01 Ex_ueg -0.4705898E-01 Ec_ueg -0.6976719E-02 Delta_ex -0.5456981E-01 Delta_ec 0.1409785E-01 Delta_et -0.1831449E+00 Pxc 0.6745144E+01 Qxc -0.3870790E+01 3,-1 108 3 +1 -0.608173 0.493695 -1.690534 Rho 0.9147867E-02 |GRAD(Rho)| 0.7147730E-17 GRAD(Rho)x -0.1038972E-17 GRAD(Rho)y -0.3773479E-17 GRAD(Rho)z 0.5980923E-17 Laplacian 0.3907750E-01 (-1/4)Del**2(Rho)) -0.9769375E-02 Diamond 0.1217097E-02 Metallicity 0.7055906E+00 Ellipticity -0.1444331E+01 Gb(Abramov) 0.7661780E-02 Vb(Abramov) -0.5554185E-02 Hb(Abramov) 0.2107595E-02 Ex_ueg -0.1413009E-02 Ec_ueg -0.3295593E-03 Delta_ex -0.1846394E-02 Delta_ec 0.6087542E-03 Delta_et -0.4180389E-02 Pxc 0.4287570E+01 Qxc -0.3033070E+01 3,+1 109 3 +1 -0.556992 1.658952 -0.546374 Rho 0.8773598E-02 |GRAD(Rho)| 0.3723487E-15 GRAD(Rho)x -0.2054562E-15 GRAD(Rho)y -0.3863336E-16 GRAD(Rho)z 0.3081213E-15 Laplacian 0.3636849E-01 (-1/4)Del**2(Rho)) -0.9092123E-02 Diamond 0.1030802E-02 Metallicity 0.7071596E+00 Ellipticity -0.1418932E+01 Gb(Abramov) 0.7133013E-02 Vb(Abramov) -0.5173902E-02 Hb(Abramov) 0.1959111E-02 Ex_ueg -0.1336458E-02 Ec_ueg -0.3127541E-03 Delta_ex -0.1683340E-02 Delta_ec 0.5357786E-03 Delta_et -0.3661488E-02 Pxc 0.4273192E+01 Qxc -0.3141857E+01 3,+1 110 3 -1 -0.406203 0.331403 0.342128 Rho 0.1955593E+00 |GRAD(Rho)| 0.9326240E-16 GRAD(Rho)x -0.1547392E-16 GRAD(Rho)y -0.7622311E-16 GRAD(Rho)z -0.5146331E-16 Laplacian 0.6525275E+00 (-1/4)Del**2(Rho)) -0.1631319E+00 Diamond 0.2017470E+01 Metallicity 0.6957902E+01 Ellipticity 0.3014310E-02 Gb(Abramov) 0.2979305E+00 Vb(Abramov) -0.4327292E+00 Hb(Abramov) -0.1347986E+00 Ex_ueg -0.8383452E-01 Ec_ueg -0.1142139E-01 Delta_ex -0.7627328E-01 Delta_ec 0.1794211E-01 Delta_et -0.2545093E+00 Pxc 0.7340132E+01 Qxc -0.4251076E+01 3,-1 111 3 -1 -1.814480 2.757794 -0.569733 Rho 0.1423789E+00 |GRAD(Rho)| 0.7106355E-15 GRAD(Rho)x -0.4263490E-15 GRAD(Rho)y -0.2147669E-15 GRAD(Rho)z 0.5264073E-15 Laplacian 0.5906589E+00 (-1/4)Del**2(Rho)) -0.1476647E+00 Diamond 0.1130319E+01 Metallicity 0.4529175E+01 Ellipticity 0.1113722E-01 Gb(Abramov) 0.2099097E+00 Vb(Abramov) -0.2721547E+00 Hb(Abramov) -0.6224499E-01 Ex_ueg -0.5490929E-01 Ec_ueg -0.7957452E-02 Delta_ex -0.6269040E-01 Delta_ec 0.1529504E-01 Delta_et -0.2023341E+00 Pxc 0.6900361E+01 Qxc -0.4098741E+01 3,-1 112 3 +1 -1.141200 1.223704 2.134166 Rho 0.2459571E-01 |GRAD(Rho)| 0.1844063E-16 GRAD(Rho)x -0.4892173E-17 GRAD(Rho)y 0.1288816E-16 GRAD(Rho)z -0.1224823E-16 Laplacian 0.9698868E-01 (-1/4)Del**2(Rho)) -0.2424717E-01 Diamond 0.1304135E-01 Metallicity 0.1477943E+01 Ellipticity -0.4720054E+01 Gb(Abramov) 0.2213744E-01 Vb(Abramov) -0.2002770E-01 Hb(Abramov) 0.2109733E-02 Ex_ueg -0.5282801E-02 Ec_ueg -0.1068380E-02 Delta_ex -0.6076767E-02 Delta_ec 0.1772220E-02 Delta_et -0.1555062E-01 Pxc 0.4944681E+01 Qxc -0.3428900E+01 3,+1 113 3 +1 0.555715 1.676346 0.485937 Rho 0.7803907E-02 |GRAD(Rho)| 0.1062204E-16 GRAD(Rho)x 0.7965156E-17 GRAD(Rho)y -0.3651430E-17 GRAD(Rho)z -0.6004257E-17 Laplacian 0.3219131E-01 (-1/4)Del**2(Rho)) -0.8047827E-02 Diamond 0.8062903E-03 Metallicity 0.6572461E+00 Ellipticity -0.1417856E+01 Gb(Abramov) 0.6246785E-02 Vb(Abramov) -0.4445743E-02 Hb(Abramov) 0.1801042E-02 Ex_ueg -0.1143232E-02 Ec_ueg -0.2695027E-03 Delta_ex -0.1461505E-02 Delta_ec 0.5002005E-03 Delta_et -0.3294815E-02 Pxc 0.4242007E+01 Qxc -0.2921839E+01 3,+1 114 3 -1 0.300267 0.308024 -0.407408 Rho 0.1988880E+00 |GRAD(Rho)| 0.7317583E-16 GRAD(Rho)x 0.4188622E-16 GRAD(Rho)y -0.5777960E-16 GRAD(Rho)z 0.1617912E-16 Laplacian 0.6782541E+00 (-1/4)Del**2(Rho)) -0.1695635E+00 Diamond 0.2143808E+01 Metallicity 0.6884966E+01 Ellipticity 0.1671359E-02 Gb(Abramov) 0.3076155E+00 Vb(Abramov) -0.4456675E+00 Hb(Abramov) -0.1380520E+00 Ex_ueg -0.8574258E-01 Ec_ueg -0.1164364E-01 Delta_ex -0.7963863E-01 Delta_ec 0.1861706E-01 Delta_et -0.2648073E+00 Pxc 0.7363901E+01 Qxc -0.4277724E+01 3,-1 115 3 +1 0.535696 0.466710 1.678020 Rho 0.8216845E-02 |GRAD(Rho)| 0.1073957E-14 GRAD(Rho)x 0.9321060E-15 GRAD(Rho)y -0.1104471E-15 GRAD(Rho)z 0.5218835E-15 Laplacian 0.3423056E-01 (-1/4)Del**2(Rho)) -0.8557641E-02 Diamond 0.9077819E-03 Metallicity 0.6735569E+00 Ellipticity -0.1413431E+01 Gb(Abramov) 0.6665770E-02 Vb(Abramov) -0.4773900E-02 Hb(Abramov) 0.1891871E-02 Ex_ueg -0.1224593E-02 Ec_ueg -0.2878695E-03 Delta_ex -0.1568331E-02 Delta_ec 0.5217558E-03 Delta_et -0.3491567E-02 Pxc 0.4253988E+01 Qxc -0.3005871E+01 3,+1 116 3 +1 -1.778789 -1.738089 1.809114 Rho 0.1258497E-01 |GRAD(Rho)| 0.2848920E-13 GRAD(Rho)x 0.1577538E-13 GRAD(Rho)y 0.5688470E-14 GRAD(Rho)z 0.2303069E-13 Laplacian 0.6333215E-01 (-1/4)Del**2(Rho)) -0.1583304E-01 Diamond 0.2670118E-02 Metallicity 0.7408711E+00 Ellipticity -0.1248000E+01 Gb(Abramov) 0.1251040E-01 Vb(Abramov) -0.9187760E-02 Hb(Abramov) 0.3322639E-02 Ex_ueg -0.2161995E-02 Ec_ueg -0.4866403E-03 Delta_ex -0.3141922E-02 Delta_ec 0.8032383E-03 Delta_et -0.6107389E-02 Pxc 0.4442697E+01 Qxc -0.3911569E+01 3,+1 117 3 -1 1.737831 -2.961537 -0.587200 Rho 0.2206390E+00 |GRAD(Rho)| 0.4220090E-08 GRAD(Rho)x -0.3017832E-08 GRAD(Rho)y -0.1474909E-08 GRAD(Rho)z -0.2554700E-08 Laplacian 0.8650910E+00 (-1/4)Del**2(Rho)) -0.2162727E+00 Diamond 0.2732141E+01 Metallicity 0.6417344E+01 Ellipticity 0.2574572E-01 Gb(Abramov) 0.3754979E+00 Vb(Abramov) -0.5347231E+00 Hb(Abramov) -0.1592252E+00 Ex_ueg -0.9846795E-01 Ec_ueg -0.1311102E-01 Delta_ex -0.1020641E+00 Delta_ec 0.1923345E-01 Delta_et -0.2640205E+00 Pxc 0.7510318E+01 Qxc -0.5306593E+01 3,-1 118 3 -1 1.921922 -3.014113 0.837718 Rho 0.1241172E+00 |GRAD(Rho)| 0.1669976E-09 GRAD(Rho)x -0.7911315E-10 GRAD(Rho)y -0.6104096E-10 GRAD(Rho)z 0.1338033E-09 Laplacian 0.4838136E+00 (-1/4)Del**2(Rho)) -0.1209534E+00 Diamond 0.7910172E+00 Metallicity 0.4398675E+01 Ellipticity 0.1774874E-01 Gb(Abramov) 0.1693081E+00 Vb(Abramov) -0.2176627E+00 Hb(Abramov) -0.4835465E-01 Ex_ueg -0.4572578E-01 Ec_ueg -0.6807869E-02 Delta_ex -0.4975242E-01 Delta_ec 0.1308279E-01 Delta_et -0.1695343E+00 Pxc 0.6716608E+01 Qxc -0.3802890E+01 3,-1 119 3 +1 1.547049 -2.009010 -2.005421 Rho 0.6829720E-02 |GRAD(Rho)| 0.6283668E-14 GRAD(Rho)x 0.1807751E-14 GRAD(Rho)y 0.5948205E-14 GRAD(Rho)z 0.9139886E-15 Laplacian 0.3018892E-01 (-1/4)Del**2(Rho)) -0.7547229E-02 Diamond 0.9821013E-03 Metallicity 0.5611821E+00 Ellipticity -0.2157434E+01 Gb(Abramov) 0.5737381E-02 Vb(Abramov) -0.3927533E-02 Hb(Abramov) 0.1809848E-02 Ex_ueg -0.9570227E-03 Ec_ueg -0.2264834E-03 Delta_ex -0.1541772E-02 Delta_ec 0.8532687E-03 Delta_et -0.5124864E-02 Pxc 0.4225575E+01 Qxc -0.1806901E+01 3,+1 120 3 -1 1.595799 -1.759366 0.413759 Rho 0.4044920E-01 |GRAD(Rho)| 0.1293363E-15 GRAD(Rho)x -0.1054948E-15 GRAD(Rho)y 0.2239259E-16 GRAD(Rho)z 0.7139535E-16 Laplacian 0.1572710E+00 (-1/4)Del**2(Rho)) -0.3931775E-01 Diamond 0.5977703E-01 Metallicity 0.2088404E+01 Ellipticity 0.1099345E-01 Gb(Abramov) 0.3989705E-01 Vb(Abramov) -0.4047636E-01 Hb(Abramov) -0.5793079E-03 Ex_ueg -0.1025491E-01 Ec_ueg -0.1894176E-02 Delta_ex -0.1227839E-01 Delta_ec 0.4694479E-02 Delta_et -0.4679577E-01 Pxc 0.5413915E+01 Qxc -0.2615496E+01 3,-1 121 3 -1 -1.702683 1.655998 0.479791 Rho 0.4099683E-01 |GRAD(Rho)| 0.4243679E-13 GRAD(Rho)x -0.2758298E-13 GRAD(Rho)y 0.3035558E-13 GRAD(Rho)z -0.1089034E-13 Laplacian 0.1603842E+00 (-1/4)Del**2(Rho)) -0.4009606E-01 Diamond 0.6124168E-01 Metallicity 0.2094282E+01 Ellipticity 0.2216409E-01 Gb(Abramov) 0.4072612E-01 Vb(Abramov) -0.4135618E-01 Hb(Abramov) -0.6300573E-03 Ex_ueg -0.1044044E-01 Ec_ueg -0.1923616E-02 Delta_ex -0.1251590E-01 Delta_ec 0.4702404E-02 Delta_et -0.4703351E-01 Pxc 0.5427505E+01 Qxc -0.2661596E+01 3,-1 122 3 -1 -3.223597 3.149618 -0.079395 Rho 0.2392574E+00 |GRAD(Rho)| 0.3102568E-14 GRAD(Rho)x -0.2242130E-15 GRAD(Rho)y 0.2186294E-14 GRAD(Rho)z -0.2189926E-14 Laplacian 0.8717905E+00 (-1/4)Del**2(Rho)) -0.2179476E+00 Diamond 0.3067583E+01 Metallicity 0.7288589E+01 Ellipticity 0.7579223E-02 Gb(Abramov) 0.4100535E+00 Vb(Abramov) -0.6021594E+00 Hb(Abramov) -0.1921059E+00 Ex_ueg -0.1096998E+00 Ec_ueg -0.1438780E-01 Delta_ex -0.1052223E+00 Delta_ec 0.1923608E-01 Delta_et -0.2662480E+00 Pxc 0.7624500E+01 Qxc -0.5470049E+01 3,-1 123 3 +1 -2.127266 1.191773 1.195739 Rho 0.2474081E-01 |GRAD(Rho)| 0.2250706E-16 GRAD(Rho)x 0.1373177E-16 GRAD(Rho)y 0.1569229E-16 GRAD(Rho)z -0.8471038E-17 Laplacian 0.9691375E-01 (-1/4)Del**2(Rho)) -0.2422844E-01 Diamond 0.1314800E-01 Metallicity 0.1493658E+01 Ellipticity -0.4990533E+01 Gb(Abramov) 0.2218379E-01 Vb(Abramov) -0.2013914E-01 Hb(Abramov) 0.2044647E-02 Ex_ueg -0.5324396E-02 Ec_ueg -0.1075673E-02 Delta_ex -0.6082705E-02 Delta_ec 0.1773002E-02 Delta_et -0.1558001E-01 Pxc 0.4949826E+01 Qxc -0.3430738E+01 3,+1 124 3 -1 -2.800881 1.765134 -0.557175 Rho 0.1898581E+00 |GRAD(Rho)| 0.3309508E-12 GRAD(Rho)x 0.5918992E-13 GRAD(Rho)y 0.2495791E-12 GRAD(Rho)z 0.2091299E-12 Laplacian 0.7771768E+00 (-1/4)Del**2(Rho)) -0.1942942E+00 Diamond 0.2059782E+01 Metallicity 0.5560858E+01 Ellipticity 0.1834367E-01 Gb(Abramov) 0.3096032E+00 Vb(Abramov) -0.4249122E+00 Hb(Abramov) -0.1153090E+00 Ex_ueg -0.8059173E-01 Ec_ueg -0.1104220E-01 Delta_ex -0.8829698E-01 Delta_ec 0.1816195E-01 Delta_et -0.2472872E+00 Pxc 0.7298521E+01 Qxc -0.4861647E+01 3,-1 125 3 -1 -1.685174 0.495155 1.713118 Rho 0.3977420E-01 |GRAD(Rho)| 0.2821081E-16 GRAD(Rho)x -0.1650613E-16 GRAD(Rho)y 0.1862234E-16 GRAD(Rho)z -0.1328931E-16 Laplacian 0.1551367E+00 (-1/4)Del**2(Rho)) -0.3878418E-01 Diamond 0.5660897E-01 Metallicity 0.2058579E+01 Ellipticity 0.1308392E-01 Gb(Abramov) 0.3916284E-01 Vb(Abramov) -0.3954150E-01 Hb(Abramov) -0.3786594E-03 Ex_ueg -0.1002737E-01 Ec_ueg -0.1857962E-02 Delta_ex -0.1200156E-01 Delta_ec 0.4524479E-02 Delta_et -0.4488521E-01 Pxc 0.5396973E+01 Qxc -0.2652585E+01 3,-1 126 3 -1 -0.479732 1.690120 1.678168 Rho 0.4059433E-01 |GRAD(Rho)| 0.4496176E-16 GRAD(Rho)x 0.2817560E-16 GRAD(Rho)y 0.3070494E-17 GRAD(Rho)z 0.3490369E-16 Laplacian 0.1607049E+00 (-1/4)Del**2(Rho)) -0.4017623E-01 Diamond 0.6077395E-01 Metallicity 0.2056015E+01 Ellipticity 0.2586224E-01 Gb(Abramov) 0.4055131E-01 Vb(Abramov) -0.4092639E-01 Hb(Abramov) -0.3750809E-03 Ex_ueg -0.1030399E-01 Ec_ueg -0.1901973E-02 Delta_ex -0.1252312E-01 Delta_ec 0.4735254E-02 Delta_et -0.4724006E-01 Pxc 0.5417530E+01 Qxc -0.2644656E+01 3,-1 127 3 -1 -0.574281 1.785412 -2.760722 Rho 0.1478138E+00 |GRAD(Rho)| 0.5924190E-15 GRAD(Rho)x 0.5914729E-15 GRAD(Rho)y -0.2580401E-16 GRAD(Rho)z 0.2131135E-16 Laplacian 0.6300125E+00 (-1/4)Del**2(Rho)) -0.1575031E+00 Diamond 0.1249600E+01 Metallicity 0.4519831E+01 Ellipticity 0.1894349E-01 Gb(Abramov) 0.2236500E+00 Vb(Abramov) -0.2897968E+00 Hb(Abramov) -0.6614687E-01 Ex_ueg -0.5772158E-01 Ec_ueg -0.8303711E-02 Delta_ex -0.6736510E-01 Delta_ec 0.1595604E-01 Delta_et -0.2117723E+00 Pxc 0.6951300E+01 Qxc -0.4221920E+01 3,-1 128 3 +3 0.039375 2.294717 -0.012974 Rho 0.4418155E-02 |GRAD(Rho)| 0.3736447E-14 GRAD(Rho)x 0.1001160E-14 GRAD(Rho)y -0.2634892E-14 GRAD(Rho)z -0.2452766E-14 Laplacian 0.1833095E-01 (-1/4)Del**2(Rho)) -0.4582737E-02 Diamond 0.1479606E-03 Metallicity 0.4471946E+00 Ellipticity -0.3087453E+00 Gb(Abramov) 0.3396721E-02 Vb(Abramov) -0.2210704E-02 Hb(Abramov) 0.1186016E-02 Ex_ueg -0.5354345E-03 Ec_ueg -0.1219602E-03 Delta_ex -0.6557015E-03 Delta_ec 0.1587275E-03 Delta_et -0.1001733E-02 Pxc 0.4390239E+01 Qxc -0.4130990E+01 3,+3 129 3 -1 -0.828489 1.985637 2.978273 Rho 0.1281255E+00 |GRAD(Rho)| 0.4328532E-15 GRAD(Rho)x -0.2204725E-15 GRAD(Rho)y -0.3642716E-15 GRAD(Rho)z 0.7784572E-16 Laplacian 0.5101615E+00 (-1/4)Del**2(Rho)) -0.1275404E+00 Diamond 0.8581424E+00 Metallicity 0.4398432E+01 Ellipticity 0.2229502E-01 Gb(Abramov) 0.1785232E+00 Vb(Abramov) -0.2295060E+00 Hb(Abramov) -0.5098282E-01 Ex_ueg -0.4770519E-01 Ec_ueg -0.7058307E-02 Delta_ex -0.5275849E-01 Delta_ec 0.1350761E-01 Delta_et -0.1756593E+00 Pxc 0.6758729E+01 Qxc -0.3905834E+01 3,-1 130 3 -1 0.465606 1.634482 -1.694004 Rho 0.4475388E-01 |GRAD(Rho)| 0.9396402E-16 GRAD(Rho)x 0.2310071E-16 GRAD(Rho)y -0.6563192E-16 GRAD(Rho)z 0.6315096E-16 Laplacian 0.1776842E+00 (-1/4)Del**2(Rho)) -0.4442106E-01 Diamond 0.7709082E-01 Metallicity 0.2187839E+01 Ellipticity 0.1231037E-01 Gb(Abramov) 0.4581173E-01 Vb(Abramov) -0.4720240E-01 Hb(Abramov) -0.1390670E-02 Ex_ueg -0.1173526E-01 Ec_ueg -0.2127008E-02 Delta_ex -0.1420559E-01 Delta_ec 0.5264490E-02 Delta_et -0.5390935E-01 Pxc 0.5517260E+01 Qxc -0.2698380E+01 3,-1 131 3 -1 0.567238 1.801925 2.765501 Rho 0.1468786E+00 |GRAD(Rho)| 0.3040242E-14 GRAD(Rho)x -0.1999662E-14 GRAD(Rho)y 0.2177810E-14 GRAD(Rho)z -0.7082144E-15 Laplacian 0.6134750E+00 (-1/4)Del**2(Rho)) -0.1533688E+00 Diamond 0.1211460E+01 Metallicity 0.4592831E+01 Ellipticity 0.1171274E-01 Gb(Abramov) 0.2196453E+00 Vb(Abramov) -0.2859219E+00 Hb(Abramov) -0.6627655E-01 Ex_ueg -0.5723518E-01 Ec_ueg -0.8244000E-02 Delta_ex -0.6553466E-01 Delta_ec 0.1563303E-01 Delta_et -0.2074604E+00 Pxc 0.6942648E+01 Qxc -0.4192065E+01 3,-1 132 3 -1 0.861879 1.976831 -2.949283 Rho 0.1504805E+00 |GRAD(Rho)| 0.3950477E-15 GRAD(Rho)x 0.1970808E-15 GRAD(Rho)y 0.1227317E-15 GRAD(Rho)z 0.3196228E-15 Laplacian 0.6036785E+00 (-1/4)Del**2(Rho)) -0.1509196E+00 Diamond 0.1223543E+01 Metallicity 0.4859681E+01 Ellipticity 0.5737628E-01 Gb(Abramov) 0.2228500E+00 Vb(Abramov) -0.2947803E+00 Hb(Abramov) -0.7193034E-01 Ex_ueg -0.5911422E-01 Ec_ueg -0.8474280E-02 Delta_ex -0.6483555E-01 Delta_ec 0.1522451E-01 Delta_et -0.2025728E+00 Pxc 0.6975723E+01 Qxc -0.4258631E+01 3,-1 133 3 -1 1.835315 2.773442 0.561861 Rho 0.1206226E+00 |GRAD(Rho)| 0.1683379E-15 GRAD(Rho)x -0.4416769E-16 GRAD(Rho)y 0.1624270E-15 GRAD(Rho)z 0.2080313E-17 Laplacian 0.5096754E+00 (-1/4)Del**2(Rho)) -0.1274188E+00 Diamond 0.7970149E+00 Metallicity 0.3981385E+01 Ellipticity 0.1450377E-01 Gb(Abramov) 0.1694965E+00 Vb(Abramov) -0.2115741E+00 Hb(Abramov) -0.4207763E-01 Ex_ueg -0.4401731E-01 Ec_ueg -0.6590416E-02 Delta_ex -0.5194793E-01 Delta_ec 0.1368006E-01 Delta_et -0.1760746E+00 Pxc 0.6678988E+01 Qxc -0.3797346E+01 3,-1 134 3 -1 1.866030 -0.656467 -3.019513 Rho 0.2379529E+00 |GRAD(Rho)| 0.1078069E-13 GRAD(Rho)x 0.2660632E-15 GRAD(Rho)y -0.1069864E-13 GRAD(Rho)z 0.1300663E-14 Laplacian 0.9088565E+00 (-1/4)Del**2(Rho)) -0.2272141E+00 Diamond 0.3150541E+01 Metallicity 0.6927921E+01 Ellipticity 0.1508268E-01 Gb(Abramov) 0.4138296E+00 Vb(Abramov) -0.6004452E+00 Hb(Abramov) -0.1866155E+00 Ex_ueg -0.1089030E+00 Ec_ueg -0.1429772E-01 Delta_ex -0.1093969E+00 Delta_ec 0.1983176E-01 Delta_et -0.2733261E+00 Pxc 0.7616808E+01 Qxc -0.5516249E+01 3,-1 135 3 +3 0.693009 -1.446159 -1.567729 Rho 0.2820267E-02 |GRAD(Rho)| 0.3842496E-17 GRAD(Rho)x 0.1875596E-17 GRAD(Rho)y 0.2632949E-17 GRAD(Rho)z 0.2077137E-17 Laplacian 0.1116782E-01 (-1/4)Del**2(Rho)) -0.2791954E-02 Diamond 0.6056176E-04 Metallicity 0.3473724E+00 Ellipticity -0.9112611E+00 Gb(Abramov) 0.2022944E-02 Vb(Abramov) -0.1253934E-02 Hb(Abramov) 0.7690101E-03 Ex_ueg -0.2942877E-03 Ec_ueg -0.5435086E-04 Delta_ex -0.3796284E-03 Delta_ec 0.1374879E-03 Delta_et -0.7169419E-03 Pxc 0.5414590E+01 Qxc -0.2761176E+01 3,+3 136 3 +1 2.060459 -1.342324 1.038207 Rho 0.2384273E-01 |GRAD(Rho)| 0.3013579E-16 GRAD(Rho)x 0.2551046E-16 GRAD(Rho)y -0.1562114E-16 GRAD(Rho)z 0.3655460E-17 Laplacian 0.9379133E-01 (-1/4)Del**2(Rho)) -0.2344783E-01 Diamond 0.1198694E-01 Metallicity 0.1451144E+01 Ellipticity -0.4137310E+01 Gb(Abramov) 0.2130292E-01 Vb(Abramov) -0.1915801E-01 Hb(Abramov) 0.2144913E-02 Ex_ueg -0.5068270E-02 Ec_ueg -0.1030626E-02 Delta_ex -0.5817284E-02 Delta_ec 0.1693761E-02 Delta_et -0.1475115E-01 Pxc 0.4917663E+01 Qxc -0.3434537E+01 3,+1 137 3 +3 2.331303 0.004353 0.026458 Rho 0.3897481E-02 |GRAD(Rho)| 0.2210548E-15 GRAD(Rho)x -0.9735096E-16 GRAD(Rho)y -0.1290321E-15 GRAD(Rho)z 0.1507936E-15 Laplacian 0.1622063E-01 (-1/4)Del**2(Rho)) -0.4055159E-02 Diamond 0.1226339E-03 Metallicity 0.4100643E+00 Ellipticity -0.2555736E+00 Gb(Abramov) 0.2980585E-02 Vb(Abramov) -0.1906011E-02 Hb(Abramov) 0.1074574E-02 Ex_ueg -0.4529987E-03 Ec_ueg -0.9977987E-04 Delta_ex -0.5776900E-03 Delta_ec 0.1686114E-03 Delta_et -0.9906398E-03 Pxc 0.4539982E+01 Qxc -0.3426161E+01 3,+3 138 3 -1 1.949493 -0.838599 2.996632 Rho 0.1408928E+00 |GRAD(Rho)| 0.1864459E-12 GRAD(Rho)x 0.1179643E-12 GRAD(Rho)y 0.1250041E-12 GRAD(Rho)z -0.7225278E-13 Laplacian 0.5599353E+00 (-1/4)Del**2(Rho)) -0.1399838E+00 Diamond 0.1057161E+01 Metallicity 0.4694866E+01 Ellipticity 0.2756665E-01 Gb(Abramov) 0.2028568E+00 Vb(Abramov) -0.2657297E+00 Hb(Abramov) -0.6287294E-01 Ex_ueg -0.5414645E-01 Ec_ueg -0.7863094E-02 Delta_ex -0.5926762E-01 Delta_ec 0.1451832E-01 Delta_et -0.1917181E+00 Pxc 0.6886151E+01 Qxc -0.4082263E+01 3,-1 139 3 -1 1.659787 -0.541040 1.665971 Rho 0.3336058E-01 |GRAD(Rho)| 0.4438958E-16 GRAD(Rho)x 0.2815898E-16 GRAD(Rho)y 0.2587109E-16 GRAD(Rho)z 0.2254315E-16 Laplacian 0.1277491E+00 (-1/4)Del**2(Rho)) -0.3193727E-01 Diamond 0.3595018E-01 Metallicity 0.1864853E+01 Ellipticity 0.6305412E-01 Gb(Abramov) 0.3121790E-01 Vb(Abramov) -0.3049853E-01 Hb(Abramov) 0.7193699E-03 Ex_ueg -0.7931643E-02 Ec_ueg -0.1518217E-02 Delta_ex -0.9407181E-02 Delta_ec 0.3630886E-02 Delta_et -0.3434227E-01 Pxc 0.5224314E+01 Qxc -0.2590877E+01 3,-1 140 3 -1 3.230364 -0.108168 -3.226021 Rho 0.2346321E+00 |GRAD(Rho)| 0.4587450E-13 GRAD(Rho)x -0.3589815E-13 GRAD(Rho)y 0.3461485E-14 GRAD(Rho)z 0.2835156E-13 Laplacian 0.8514283E+00 (-1/4)Del**2(Rho)) -0.2128571E+00 Diamond 0.2938327E+01 Metallicity 0.7223995E+01 Ellipticity 0.1715249E-01 Gb(Abramov) 0.3981844E+00 Vb(Abramov) -0.5835118E+00 Hb(Abramov) -0.1853274E+00 Ex_ueg -0.1068813E+00 Ec_ueg -0.1406883E-01 Delta_ex -0.1023082E+00 Delta_ec 0.1901243E-01 Delta_et -0.2634683E+00 Pxc 0.7597024E+01 Qxc -0.5381122E+01 3,-1 141 3 +1 2.935134 0.023715 0.005160 Rho 0.4530346E-02 |GRAD(Rho)| 0.3936756E-17 GRAD(Rho)x 0.1919638E-18 GRAD(Rho)y -0.5620291E-18 GRAD(Rho)z 0.3891699E-17 Laplacian 0.1840538E-01 (-1/4)Del**2(Rho)) -0.4601345E-02 Diamond 0.4115160E-03 Metallicity 0.4643948E+00 Ellipticity -0.5352586E+01 Gb(Abramov) 0.3423704E-02 Vb(Abramov) -0.2246062E-02 Hb(Abramov) 0.1177642E-02 Ex_ueg -0.5536393E-03 Ec_ueg -0.1267580E-03 Delta_ex -0.9356655E-03 Delta_ec 0.6468628E-03 Delta_et -0.3382897E-02 Pxc 0.4367687E+01 Qxc -0.1446467E+01 3,+1 142 3 -1 2.783606 0.577365 1.834214 Rho 0.1418380E+00 |GRAD(Rho)| 0.2169964E-15 GRAD(Rho)x 0.1368331E-15 GRAD(Rho)y 0.1684037E-15 GRAD(Rho)z -0.2087089E-17 Laplacian 0.5992981E+00 (-1/4)Del**2(Rho)) -0.1498245E+00 Diamond 0.1139108E+01 Metallicity 0.4435658E+01 Ellipticity 0.1404927E-01 Gb(Abramov) 0.2106447E+00 Vb(Abramov) -0.2714649E+00 Hb(Abramov) -0.6082021E-01 Ex_ueg -0.5463135E-01 Ec_ueg -0.7923094E-02 Delta_ex -0.6352140E-01 Delta_ec 0.1548500E-01 Delta_et -0.2046287E+00 Pxc 0.6895204E+01 Qxc -0.4102124E+01 3,-1 143 3 -1 3.192818 0.030976 3.208113 Rho 0.2424933E+00 |GRAD(Rho)| 0.2133487E-14 GRAD(Rho)x -0.1415318E-14 GRAD(Rho)y -0.5316927E-15 GRAD(Rho)z -0.1505306E-14 Laplacian 0.8713875E+00 (-1/4)Del**2(Rho)) -0.2178469E+00 Diamond 0.3128259E+01 Metallicity 0.7457066E+01 Ellipticity 0.5391863E-02 Gb(Abramov) 0.4159810E+00 Vb(Abramov) -0.6141151E+00 Hb(Abramov) -0.1981341E+00 Ex_ueg -0.1116824E+00 Ec_ueg -0.1461164E-01 Delta_ex -0.1056072E+00 Delta_ec 0.1926406E-01 Delta_et -0.2672593E+00 Pxc 0.7643386E+01 Qxc -0.5482083E+01 3,-1 144 3 -1 2.947952 0.774219 -2.001678 Rho 0.7980248E-01 |GRAD(Rho)| 0.2184666E-15 GRAD(Rho)x -0.1180069E-15 GRAD(Rho)y -0.1372990E-15 GRAD(Rho)z -0.1222743E-15 Laplacian 0.3227451E+00 (-1/4)Del**2(Rho)) -0.8068628E-01 Diamond 0.3025910E+00 Metallicity 0.3158257E+01 Ellipticity 0.5815658E-02 Gb(Abramov) 0.9626219E-01 Vb(Abramov) -0.1118381E+00 Hb(Abramov) -0.1557591E-01 Ex_ueg -0.2537505E-01 Ec_ueg -0.4118788E-02 Delta_ex -0.2979747E-01 Delta_ec 0.9320064E-02 Delta_et -0.1102765E+00 Pxc 0.6160805E+01 Qxc -0.3197131E+01 3,-1 145 3 -1 -3.227111 0.062701 -3.192627 Rho 0.2342425E+00 |GRAD(Rho)| 0.4594566E-15 GRAD(Rho)x 0.3008661E-15 GRAD(Rho)y -0.1782699E-15 GRAD(Rho)z 0.2979930E-15 Laplacian 0.8606803E+00 (-1/4)Del**2(Rho)) -0.2151701E+00 Diamond 0.2956902E+01 Metallicity 0.7126575E+01 Ellipticity 0.2201591E-01 Gb(Abramov) 0.3990177E+00 Vb(Abramov) -0.5828652E+00 Hb(Abramov) -0.1838476E+00 Ex_ueg -0.1066447E+00 Ec_ueg -0.1404202E-01 Delta_ex -0.1033344E+00 Delta_ec 0.1915553E-01 Delta_et -0.2651222E+00 Pxc 0.7594683E+01 Qxc -0.5394496E+01 3,-1 146 3 -1 -1.723704 -0.552814 -1.752153 Rho 0.4614262E-01 |GRAD(Rho)| 0.2146911E-15 GRAD(Rho)x -0.1414774E-15 GRAD(Rho)y 0.3602166E-16 GRAD(Rho)z -0.1574130E-15 Laplacian 0.1841705E+00 (-1/4)Del**2(Rho)) -0.4604264E-01 Diamond 0.8547755E-01 Metallicity 0.2221076E+01 Ellipticity 0.1226415E-01 Gb(Abramov) 0.4773912E-01 Vb(Abramov) -0.4943561E-01 Hb(Abramov) -0.1696487E-02 Ex_ueg -0.1222329E-01 Ec_ueg -0.2202788E-02 Delta_ex -0.1494195E-01 Delta_ec 0.5642400E-02 Delta_et -0.5828923E-01 Pxc 0.5549007E+01 Qxc -0.2648155E+01 3,-1 147 3 -1 -2.102481 -0.885119 -3.244117 Rho 0.2342250E+00 |GRAD(Rho)| 0.1218617E-12 GRAD(Rho)x 0.9952634E-13 GRAD(Rho)y -0.6252583E-13 GRAD(Rho)z 0.3217603E-13 Laplacian 0.9037531E+00 (-1/4)Del**2(Rho)) -0.2259383E+00 Diamond 0.3058994E+01 Metallicity 0.6786079E+01 Ellipticity 0.1617316E-01 Gb(Abramov) 0.4061647E+00 Vb(Abramov) -0.5863911E+00 Hb(Abramov) -0.1802264E+00 Ex_ueg -0.1066341E+00 Ec_ueg -0.1404082E-01 Delta_ex -0.1082529E+00 Delta_ec 0.1966686E-01 Delta_et -0.2702824E+00 Pxc 0.7594578E+01 Qxc -0.5504330E+01 3,-1 148 3 -1 -1.809022 -0.561381 2.828243 Rho 0.1480020E+00 |GRAD(Rho)| 0.2185792E-15 GRAD(Rho)x -0.8990747E-16 GRAD(Rho)y -0.1985445E-15 GRAD(Rho)z 0.1654086E-16 Laplacian 0.6238559E+00 (-1/4)Del**2(Rho)) -0.1559640E+00 Diamond 0.1242883E+01 Metallicity 0.4574125E+01 Ellipticity 0.1592014E-01 Gb(Abramov) 0.2228758E+00 Vb(Abramov) -0.2897876E+00 Hb(Abramov) -0.6691179E-01 Ex_ueg -0.5781959E-01 Ec_ueg -0.8315734E-02 Delta_ex -0.6676418E-01 Delta_ec 0.1586033E-01 Delta_et -0.2106880E+00 Pxc 0.6953036E+01 Qxc -0.4209507E+01 3,-1 149 3 -1 -0.567815 2.765561 -1.775337 Rho 0.1394719E+00 |GRAD(Rho)| 0.1059588E-11 GRAD(Rho)x -0.6892601E-12 GRAD(Rho)y 0.2642253E-12 GRAD(Rho)z 0.7601532E-12 Laplacian 0.5833218E+00 (-1/4)Del**2(Rho)) -0.1458304E+00 Diamond 0.1081664E+01 Metallicity 0.4431145E+01 Ellipticity 0.7965271E-02 Gb(Abramov) 0.2049196E+00 Vb(Abramov) -0.2640088E+00 Hb(Abramov) -0.5908916E-01 Ex_ueg -0.5341959E-01 Ec_ueg -0.7773006E-02 Delta_ex -0.6152157E-01 Delta_ec 0.1503811E-01 Delta_et -0.1980215E+00 Pxc 0.6872449E+01 Qxc -0.4091043E+01 3,-1 150 3 +3 1.779521 -1.824326 1.828789 Rho 0.1205335E-01 |GRAD(Rho)| 0.2061059E-15 GRAD(Rho)x -0.1178915E-15 GRAD(Rho)y 0.1194779E-15 GRAD(Rho)z -0.1196087E-15 Laplacian 0.5492572E-01 (-1/4)Del**2(Rho)) -0.1373143E-01 Diamond 0.1154308E-02 Metallicity 0.7949688E+00 Ellipticity -0.5068112E+00 Gb(Abramov) 0.1097363E-01 Vb(Abramov) -0.8215829E-02 Hb(Abramov) 0.2757800E-02 Ex_ueg -0.2041089E-02 Ec_ueg -0.4620322E-03 Delta_ex -0.2398492E-02 Delta_ec 0.1692588E-03 Delta_et -0.1687348E-02 Pxc 0.4417633E+01 Qxc -0.1417056E+02 3,+3 151 3 -1 3.013386 1.974876 -0.831368 Rho 0.1874059E+00 |GRAD(Rho)| 0.6678674E-13 GRAD(Rho)x 0.6346811E-13 GRAD(Rho)y 0.2540069E-14 GRAD(Rho)z -0.2063529E-13 Laplacian 0.7347271E+00 (-1/4)Del**2(Rho)) -0.1836818E+00 Diamond 0.1933046E+01 Metallicity 0.5756069E+01 Ellipticity 0.4828170E-01 Gb(Abramov) 0.2986687E+00 Vb(Abramov) -0.4136556E+00 Hb(Abramov) -0.1149869E+00 Ex_ueg -0.7920687E-01 Ec_ueg -0.1087967E-01 Delta_ex -0.8331685E-01 Delta_ec 0.1744112E-01 Delta_et -0.2378787E+00 Pxc 0.7280264E+01 Qxc -0.4777035E+01 3,-1 152 3 -1 -2.966319 -0.931481 -2.051043 Rho 0.1294953E+00 |GRAD(Rho)| 0.5176906E-12 GRAD(Rho)x 0.2049437E-12 GRAD(Rho)y 0.3437686E-12 GRAD(Rho)z -0.3283669E-12 Laplacian 0.5011988E+00 (-1/4)Del**2(Rho)) -0.1252997E+00 Diamond 0.8670672E+00 Metallicity 0.4557150E+01 Ellipticity 0.2492571E-01 Gb(Abramov) 0.1787014E+00 Vb(Abramov) -0.2321031E+00 Hb(Abramov) -0.5340168E-01 Ex_ueg -0.4838646E-01 Ec_ueg -0.7144146E-02 Delta_ex -0.5212383E-01 Delta_ec 0.1352147E-01 Delta_et -0.1766728E+00 Pxc 0.6772883E+01 Qxc -0.3854894E+01 3,-1 153 3 -1 -2.771197 -0.550599 1.840730 Rho 0.1395023E+00 |GRAD(Rho)| 0.1016293E-12 GRAD(Rho)x 0.7432087E-13 GRAD(Rho)y -0.1695013E-13 GRAD(Rho)z 0.6721318E-13 Laplacian 0.5824690E+00 (-1/4)Del**2(Rho)) -0.1456173E+00 Diamond 0.1083760E+01 Metallicity 0.4439246E+01 Ellipticity 0.1021753E-01 Gb(Abramov) 0.2048166E+00 Vb(Abramov) -0.2640160E+00 Hb(Abramov) -0.5919938E-01 Ex_ueg -0.5343512E-01 Ec_ueg -0.7774934E-02 Delta_ex -0.6147214E-01 Delta_ec 0.1508182E-01 Delta_et -0.1987417E+00 Pxc 0.6872743E+01 Qxc -0.4075909E+01 3,-1 154 3 -1 -1.994954 2.933142 0.837488 Rho 0.1214446E+00 |GRAD(Rho)| 0.2274634E-14 GRAD(Rho)x -0.1162014E-14 GRAD(Rho)y -0.8008527E-15 GRAD(Rho)z -0.1783906E-14 Laplacian 0.4870931E+00 (-1/4)Del**2(Rho)) -0.1217733E+00 Diamond 0.7649436E+00 Metallicity 0.4213387E+01 Ellipticity 0.1538260E-01 Gb(Abramov) 0.1666952E+00 Vb(Abramov) -0.2116171E+00 Hb(Abramov) -0.4492190E-01 Ex_ueg -0.4441768E-01 Ec_ueg -0.6641486E-02 Delta_ex -0.4968713E-01 Delta_ec 0.1298243E-01 Delta_et -0.1671745E+00 Pxc 0.6687913E+01 Qxc -0.3827258E+01 3,-1 155 3 -1 -0.746888 -3.425779 -1.285351 Rho 0.3065794E+00 |GRAD(Rho)| 0.5093321E-15 GRAD(Rho)x -0.3964987E-15 GRAD(Rho)y 0.2121081E-15 GRAD(Rho)z -0.2392032E-15 Laplacian -0.1571796E+01 (-1/4)Del**2(Rho)) 0.3929491E+00 Diamond 0.5282210E+01 Metallicity -0.6111135E+01 Ellipticity 0.1988704E-02 Gb(Abramov) 0.1382614E+00 Vb(Abramov) -0.6694720E+00 Hb(Abramov) -0.5312105E+00 Ex_ueg -0.1526777E+00 Ec_ueg -0.1916311E-01 Delta_ex 0.1536608E+00 Delta_ec 0.5528701E-01 Delta_et -0.1287873E+01 Pxc 0.7967274E+01 Qxc 0.2779330E+01 3,-1 156 3 -1 -1.759816 -1.672146 -0.489981 Rho 0.4905821E-01 |GRAD(Rho)| 0.4598860E-13 GRAD(Rho)x 0.2152536E-14 GRAD(Rho)y -0.4391568E-13 GRAD(Rho)z -0.1348073E-13 Laplacian 0.1956528E+00 (-1/4)Del**2(Rho)) -0.4891319E-01 Diamond 0.9696536E-01 Metallicity 0.2315510E+01 Ellipticity 0.1420205E-01 Gb(Abramov) 0.5148529E-01 Vb(Abramov) -0.5405739E-01 Hb(Abramov) -0.2572100E-02 Ex_ueg -0.1326378E-01 Ec_ueg -0.2362882E-02 Delta_ex -0.1604170E-01 Delta_ec 0.5855342E-02 Delta_et -0.6144382E-01 Pxc 0.5613392E+01 Qxc -0.2739670E+01 3,-1 157 3 -1 2.708374 -1.859037 -0.624653 Rho 0.1437839E+00 |GRAD(Rho)| 0.2772245E-15 GRAD(Rho)x -0.9387836E-16 GRAD(Rho)y -0.1764810E-15 GRAD(Rho)z 0.1920800E-15 Laplacian 0.5933102E+00 (-1/4)Del**2(Rho)) -0.1483275E+00 Diamond 0.1148026E+01 Metallicity 0.4583335E+01 Ellipticity 0.7465047E-02 Gb(Abramov) 0.2121908E+00 Vb(Abramov) -0.2760541E+00 Hb(Abramov) -0.6386329E-01 Ex_ueg -0.5563293E-01 Ec_ueg -0.8046786E-02 Delta_ex -0.6311395E-01 Delta_ec 0.1531112E-01 Delta_et -0.2028091E+00 Pxc 0.6913683E+01 Qxc -0.4122100E+01 3,-1 158 3 -1 2.881600 -2.013050 0.797145 Rho 0.9261777E-01 |GRAD(Rho)| 0.5361299E-14 GRAD(Rho)x -0.1753084E-14 GRAD(Rho)y -0.3120635E-14 GRAD(Rho)z -0.3991473E-14 Laplacian 0.3717272E+00 (-1/4)Del**2(Rho)) -0.9293180E-01 Diamond 0.4192675E+00 Metallicity 0.3514628E+01 Ellipticity 0.3255957E-02 Gb(Abramov) 0.1163913E+00 Vb(Abramov) -0.1398508E+00 Hb(Abramov) -0.2345951E-01 Ex_ueg -0.3094882E-01 Ec_ueg -0.4880076E-02 Delta_ex -0.3554669E-01 Delta_ec 0.1046670E-01 Delta_et -0.1279287E+00 Pxc 0.6341873E+01 Qxc -0.3396170E+01 3,-1 159 3 -1 -2.994525 1.954578 0.860654 Rho 0.1342461E+00 |GRAD(Rho)| 0.3484279E-15 GRAD(Rho)x 0.1436161E-15 GRAD(Rho)y 0.1803435E-15 GRAD(Rho)z -0.2612521E-15 Laplacian 0.5291932E+00 (-1/4)Del**2(Rho)) -0.1322983E+00 Diamond 0.9455146E+00 Metallicity 0.4583196E+01 Ellipticity 0.2466899E-01 Gb(Abramov) 0.1892570E+00 Vb(Abramov) -0.2462158E+00 Hb(Abramov) -0.5695874E-01 Ex_ueg -0.5076768E-01 Ec_ueg -0.7442799E-02 Delta_ex -0.5539245E-01 Delta_ec 0.1393910E-01 Delta_et -0.1828066E+00 Pxc 0.6821047E+01 Qxc -0.3973891E+01 3,-1 160 3 -1 -0.463461 -0.394301 -0.391782 Rho 0.2077236E+00 |GRAD(Rho)| 0.4873966E-15 GRAD(Rho)x 0.3548299E-15 GRAD(Rho)y 0.2224156E-15 GRAD(Rho)z 0.2493643E-15 Laplacian 0.7724985E+00 (-1/4)Del**2(Rho)) -0.1931246E+00 Diamond 0.2531365E+01 Metallicity 0.6499180E+01 Ellipticity 0.3708059E-01 Gb(Abramov) 0.3379417E+00 Vb(Abramov) -0.4827587E+00 Hb(Abramov) -0.1448171E+00 Ex_ueg -0.9085862E-01 Ec_ueg -0.1223654E-01 Delta_ex -0.9142310E-01 Delta_ec 0.2049509E-01 Delta_et -0.2916594E+00 Pxc 0.7425187E+01 Qxc -0.4460732E+01 3,-1 161 3 -1 0.291921 -0.419461 0.320699 Rho 0.1982810E+00 |GRAD(Rho)| 0.3670992E-16 GRAD(Rho)x -0.1337840E-16 GRAD(Rho)y -0.2899967E-16 GRAD(Rho)z -0.1810127E-16 Laplacian 0.6729379E+00 (-1/4)Del**2(Rho)) -0.1682345E+00 Diamond 0.2121625E+01 Metallicity 0.6904095E+01 Ellipticity 0.5445151E-02 Gb(Abramov) 0.3057408E+00 Vb(Abramov) -0.4432471E+00 Hb(Abramov) -0.1375063E+00 Ex_ueg -0.8539385E-01 Ec_ueg -0.1160306E-01 Delta_ex -0.7897122E-01 Delta_ec 0.1851504E-01 Delta_et -0.2633375E+00 Pxc 0.7359595E+01 Qxc -0.4265248E+01 3,-1 162 3 -1 -1.968898 0.855409 3.014911 Rho 0.1516124E+00 |GRAD(Rho)| 0.2988391E-14 GRAD(Rho)x -0.1989904E-14 GRAD(Rho)y -0.2042962E-14 GRAD(Rho)z -0.8927863E-15 Laplacian 0.5998346E+00 (-1/4)Del**2(Rho)) -0.1499586E+00 Diamond 0.1231384E+01 Metallicity 0.4952293E+01 Ellipticity 0.4287428E-01 Gb(Abramov) 0.2237456E+00 Vb(Abramov) -0.2975326E+00 Hb(Abramov) -0.7378698E-01 Ex_ueg -0.5970785E-01 Ec_ueg -0.8546813E-02 Delta_ex -0.6458729E-01 Delta_ec 0.1518065E-01 Delta_et -0.2023878E+00 Pxc 0.6985979E+01 Qxc -0.4254579E+01 3,-1 163 3 -1 -0.055373 3.169434 -3.162330 Rho 0.2430690E+00 |GRAD(Rho)| 0.8910435E-14 GRAD(Rho)x 0.1454430E-14 GRAD(Rho)y -0.5979158E-14 GRAD(Rho)z 0.6444389E-14 Laplacian 0.8896785E+00 (-1/4)Del**2(Rho)) -0.2224196E+00 Diamond 0.3188100E+01 Metallicity 0.7332681E+01 Ellipticity 0.1091837E-02 Gb(Abramov) 0.4201018E+00 Vb(Abramov) -0.6177839E+00 Hb(Abramov) -0.1976821E+00 Ex_ueg -0.1120361E+00 Ec_ueg -0.1465152E-01 Delta_ex -0.1078125E+00 Delta_ec 0.1951482E-01 Delta_et -0.2701346E+00 Pxc 0.7646718E+01 Qxc -0.5524648E+01 3,-1 164 3 -1 0.083452 3.206655 3.177240 Rho 0.2415469E+00 |GRAD(Rho)| 0.9519277E-14 GRAD(Rho)x 0.2176563E-14 GRAD(Rho)y -0.2849825E-14 GRAD(Rho)z -0.8818033E-14 Laplacian 0.8778865E+00 (-1/4)Del**2(Rho)) -0.2194716E+00 Diamond 0.3127966E+01 Metallicity 0.7353778E+01 Ellipticity 0.2192383E-02 Gb(Abramov) 0.4153053E+00 Vb(Abramov) -0.6111391E+00 Hb(Abramov) -0.1958337E+00 Ex_ueg -0.1111016E+00 Ec_ueg -0.1454611E-01 Delta_ex -0.1062396E+00 Delta_ec 0.1934714E-01 Delta_et -0.2680080E+00 Pxc 0.7637890E+01 Qxc -0.5491230E+01 3,-1 165 3 -1 1.990663 2.968883 -0.826157 Rho 0.1432589E+00 |GRAD(Rho)| 0.5189528E-13 GRAD(Rho)x -0.4142333E-13 GRAD(Rho)y -0.1595936E-13 GRAD(Rho)z -0.2687985E-13 Laplacian 0.5663435E+00 (-1/4)Del**2(Rho)) -0.1415859E+00 Diamond 0.1091592E+01 Metallicity 0.4772389E+01 Ellipticity 0.2767744E-01 Gb(Abramov) 0.2070077E+00 Vb(Abramov) -0.2724296E+00 Hb(Abramov) -0.6542186E-01 Ex_ueg -0.5536226E-01 Ec_ueg -0.8013392E-02 Delta_ex -0.6019741E-01 Delta_ec 0.1463868E-01 Delta_et -0.1938193E+00 Pxc 0.6908718E+01 Qxc -0.4112216E+01 3,-1 166 3 -1 0.031611 -3.343274 -1.211607 Rho 0.4252884E-01 |GRAD(Rho)| 0.1198045E-15 GRAD(Rho)x -0.1192854E-15 GRAD(Rho)y -0.2608142E-17 GRAD(Rho)z -0.1083060E-16 Laplacian 0.1198911E+00 (-1/4)Del**2(Rho)) -0.2997278E-01 Diamond 0.7951028E-01 Metallicity 0.2978279E+01 Ellipticity 0.7662952E-02 Gb(Abramov) 0.3485974E-01 Vb(Abramov) -0.3974669E-01 Hb(Abramov) -0.4886958E-02 Ex_ueg -0.1096385E-01 Ec_ueg -0.2006260E-02 Delta_ex -0.1112060E-01 Delta_ec 0.6511390E-02 Delta_et -0.6624796E-01 Pxc 0.5464819E+01 Qxc -0.1707870E+01 3,-1 167 3 -1 -0.018609 2.948225 0.040848 Rho 0.5386024E-02 |GRAD(Rho)| 0.2389692E-16 GRAD(Rho)x -0.2297024E-16 GRAD(Rho)y -0.8720127E-18 GRAD(Rho)z 0.6532277E-17 Laplacian 0.2187142E-01 (-1/4)Del**2(Rho)) -0.5467856E-02 Diamond 0.6337528E-03 Metallicity 0.5214147E+00 Ellipticity 0.1327372E+02 Gb(Abramov) 0.4120407E-02 Vb(Abramov) -0.2772959E-02 Hb(Abramov) 0.1347448E-02 Ex_ueg -0.6972836E-03 Ec_ueg -0.1635626E-03 Delta_ex -0.1162151E-02 Delta_ec 0.7939138E-03 Delta_et -0.4366769E-02 Pxc 0.4263098E+01 Qxc -0.1463825E+01 3,-1 168 3 -1 0.834058 2.959125 -1.935939 Rho 0.1392169E+00 |GRAD(Rho)| 0.6825323E-14 GRAD(Rho)x -0.4898019E-14 GRAD(Rho)y -0.2617935E-14 GRAD(Rho)z -0.3967475E-14 Laplacian 0.5531913E+00 (-1/4)Del**2(Rho)) -0.1382978E+00 Diamond 0.1026623E+01 Metallicity 0.4658265E+01 Ellipticity 0.3440910E-01 Gb(Abramov) 0.1995699E+00 Vb(Abramov) -0.2608419E+00 Hb(Abramov) -0.6127204E-01 Ex_ueg -0.5328940E-01 Ec_ueg -0.7756852E-02 Delta_ex -0.5835171E-01 Delta_ec 0.1432827E-01 Delta_et -0.1887476E+00 Pxc 0.6869977E+01 Qxc -0.4072488E+01 3,-1 169 3 -1 0.586737 2.790044 1.794208 Rho 0.1596093E+00 |GRAD(Rho)| 0.3604388E-14 GRAD(Rho)x -0.2129834E-14 GRAD(Rho)y -0.3607141E-15 GRAD(Rho)z 0.2885360E-14 Laplacian 0.6654630E+00 (-1/4)Del**2(Rho)) -0.1663658E+00 Diamond 0.1450967E+01 Metallicity 0.4863171E+01 Ellipticity 0.1915813E-01 Gb(Abramov) 0.2457547E+00 Vb(Abramov) -0.3251436E+00 Hb(Abramov) -0.7938893E-01 Ex_ueg -0.6394343E-01 Ec_ueg -0.9061458E-02 Delta_ex -0.7254976E-01 Delta_ec 0.1659062E-01 Delta_et -0.2226118E+00 Pxc 0.7056639E+01 Qxc -0.4372937E+01 3,-1 170 3 -1 -0.076729 -3.198591 3.233257 Rho 0.2431783E+00 |GRAD(Rho)| 0.2535068E-10 GRAD(Rho)x -0.4382980E-11 GRAD(Rho)y -0.1731676E-10 GRAD(Rho)z 0.1798822E-10 Laplacian 0.8841519E+00 (-1/4)Del**2(Rho)) -0.2210380E+00 Diamond 0.3174806E+01 Metallicity 0.7384044E+01 Ellipticity 0.1665196E-02 Gb(Abramov) 0.4193843E+00 Vb(Abramov) -0.6177307E+00 Hb(Abramov) -0.1983464E+00 Ex_ueg -0.1121032E+00 Ec_ueg -0.1465910E-01 Delta_ex -0.1071805E+00 Delta_ec 0.1943577E-01 Delta_et -0.2692455E+00 Pxc 0.7647349E+01 Qxc -0.5514599E+01 3,-1 171 3 -1 2.737857 -0.655448 -1.853178 Rho 0.1400918E+00 |GRAD(Rho)| 0.9935656E-14 GRAD(Rho)x -0.2938635E-14 GRAD(Rho)y -0.9402825E-14 GRAD(Rho)z -0.1291732E-14 Laplacian 0.5757998E+00 (-1/4)Del**2(Rho)) -0.1439500E+00 Diamond 0.1083914E+01 Metallicity 0.4522338E+01 Ellipticity 0.7054756E-02 Gb(Abramov) 0.2044650E+00 Vb(Abramov) -0.2649801E+00 Hb(Abramov) -0.6051507E-01 Ex_ueg -0.5373643E-01 Ec_ueg -0.7812297E-02 Delta_ex -0.6090840E-01 Delta_ec 0.1503259E-01 Delta_et -0.1985082E+00 Pxc 0.6878442E+01 Qxc -0.4051756E+01 3,-1 172 3 -1 1.637481 0.384184 -1.762922 Rho 0.3544957E-01 |GRAD(Rho)| 0.1746143E-13 GRAD(Rho)x 0.1108913E-13 GRAD(Rho)y -0.6099220E-14 GRAD(Rho)z -0.1203047E-13 Laplacian 0.1351772E+00 (-1/4)Del**2(Rho)) -0.3379431E-01 Diamond 0.4267482E-01 Metallicity 0.1950119E+01 Ellipticity 0.4198536E-01 Gb(Abramov) 0.3351336E-01 Vb(Abramov) -0.3323241E-01 Hb(Abramov) 0.2809464E-03 Ex_ueg -0.8600684E-02 Ec_ueg -0.1627979E-02 Delta_ex -0.1019742E-01 Delta_ec 0.4005781E-02 Delta_et -0.3852469E-01 Pxc 0.5283045E+01 Qxc -0.2545677E+01 3,-1 173 3 -1 -0.604617 -2.777808 1.856051 Rho 0.1536940E+00 |GRAD(Rho)| 0.4973704E-15 GRAD(Rho)x -0.1124589E-15 GRAD(Rho)y -0.1683292E-15 GRAD(Rho)z -0.4543078E-15 Laplacian 0.6462387E+00 (-1/4)Del**2(Rho)) -0.1615597E+00 Diamond 0.1344561E+01 Metallicity 0.4702349E+01 Ellipticity 0.2403011E-01 Gb(Abramov) 0.2343248E+00 Vb(Abramov) -0.3070899E+00 Hb(Abramov) -0.7276511E-01 Ex_ueg -0.6080334E-01 Ec_ueg -0.8680399E-02 Delta_ex -0.6977954E-01 Delta_ec 0.1623075E-01 Delta_et -0.2166254E+00 Pxc 0.7004672E+01 Qxc -0.4299219E+01 3,-1 174 3 -1 1.791998 0.549319 2.776246 Rho 0.1316430E+00 |GRAD(Rho)| 0.1052988E-12 GRAD(Rho)x 0.7835510E-13 GRAD(Rho)y -0.6844300E-13 GRAD(Rho)z -0.1624392E-13 Laplacian 0.5515505E+00 (-1/4)Del**2(Rho)) -0.1378876E+00 Diamond 0.9551157E+00 Metallicity 0.4256222E+01 Ellipticity 0.1230289E-01 Gb(Abramov) 0.1897385E+00 Vb(Abramov) -0.2415893E+00 Hb(Abramov) -0.5185085E-01 Ex_ueg -0.4945940E-01 Ec_ueg -0.7278974E-02 Delta_ex -0.5737243E-01 Delta_ec 0.1443889E-01 Delta_et -0.1884691E+00 Pxc 0.6794831E+01 Qxc -0.3973467E+01 3,-1 175 3 -1 2.948348 -0.853277 1.986615 Rho 0.1759180E+00 |GRAD(Rho)| 0.9929392E-12 GRAD(Rho)x -0.3164901E-12 GRAD(Rho)y 0.7445727E-12 GRAD(Rho)z 0.5756507E-12 Laplacian 0.6916760E+00 (-1/4)Del**2(Rho)) -0.1729190E+00 Diamond 0.1688345E+01 Metallicity 0.5502512E+01 Ellipticity 0.5079636E-01 Gb(Abramov) 0.2738608E+00 Vb(Abramov) -0.3748026E+00 Hb(Abramov) -0.1009418E+00 Ex_ueg -0.7280013E-01 Ec_ueg -0.1012280E-01 Delta_ex -0.7720637E-01 Delta_ec 0.1672156E-01 Delta_et -0.2266913E+00 Pxc 0.7191698E+01 Qxc -0.4617175E+01 3,-1 176 3 -1 -3.003298 -1.993564 -0.862527 Rho 0.1544246E+00 |GRAD(Rho)| 0.1918978E-11 GRAD(Rho)x -0.8137826E-12 GRAD(Rho)y 0.9873134E-12 GRAD(Rho)z -0.1430192E-11 Laplacian 0.6113552E+00 (-1/4)Del**2(Rho)) -0.1528388E+00 Diamond 0.1286075E+01 Metallicity 0.5010106E+01 Ellipticity 0.6522519E-01 Gb(Abramov) 0.2295156E+00 Vb(Abramov) -0.3061925E+00 Hb(Abramov) -0.7667683E-01 Ex_ueg -0.6118904E-01 Ec_ueg -0.8727350E-02 Delta_ex -0.6615565E-01 Delta_ec 0.1545316E-01 Delta_et -0.2066599E+00 Pxc 0.7011182E+01 Qxc -0.4281042E+01 3,-1 177 3 -1 -3.253994 -3.135340 0.078754 Rho 0.2430161E+00 |GRAD(Rho)| 0.4039035E-15 GRAD(Rho)x 0.1245748E-15 GRAD(Rho)y -0.3707971E-15 GRAD(Rho)z 0.1006411E-15 Laplacian 0.8996471E+00 (-1/4)Del**2(Rho)) -0.2249118E+00 Diamond 0.3215753E+01 Metallicity 0.7248801E+01 Ellipticity 0.1229036E-02 Gb(Abramov) 0.4216646E+00 Vb(Abramov) -0.6184175E+00 Hb(Abramov) -0.1967529E+00 Ex_ueg -0.1120036E+00 Ec_ueg -0.1464786E-01 Delta_ex -0.1089765E+00 Delta_ec 0.1966723E-01 Delta_et -0.2719386E+00 Pxc 0.7646412E+01 Qxc -0.5541019E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 86 69 173 87 80 170 161 160 114 110 130 127 149 132 168 163 126 131 169 129 66 164 120 157 117 158 118 97 92 99 133 151 165 98 121 124 111 159 154 122 156 106 107 176 58 177 146 101 55 152 147 145 125 153 148 104 162 103 139 142 174 175 138 143 172 171 134 144 89 140 82 73 167 166 155 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 21 21 25 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 28 36 27 52 52 2.456202 1.955362 1.903097 1.944693 1.908766 1.738545 1.567506 1.544943 1.566153 1.573498 2.415398 1.916175 1.941979 1.920267 1.951669 1.738642 2.455194 1.922324 1.889332 1.985167 1.917470 1.741186 2.458674 1.929368 1.772762 2.116873 1.998491 1.749037 2.564937 1.934680 1.998983 1.836930 1.940296 1.740705 2.455826 1.825147 1.934065 1.966913 2.007710 1.744856 2.373748 1.939875 1.979713 1.910966 1.921112 1.738378 2.393260 2.170583 1.953706 1.981304 1.751907 1.753002 2.468703 1.942542 1.917811 1.933526 1.918977 1.738559 2.545126 1.933232 1.965144 1.861592 1.946573 1.739876 2.515090 1.939456 1.746908 2.177052 1.984662 1.752399 3.064492 3.151321 3.270768 1.709129 1.008311 2.457322 1.955755 1.903604 1.945272 1.909389 1.738547 1.567540 1.545049 1.566187 1.573505 2.416630 1.916611 1.942425 1.920872 1.952300 1.738645 2.455823 1.922765 1.889708 1.985747 1.918050 1.741188 2.459720 1.929810 1.772880 2.117448 1.999094 1.749062 2.565897 1.935134 1.998956 1.837309 1.940881 1.740716 2.456800 1.825506 1.934397 1.967466 2.008309 1.744869 2.375334 1.940341 1.980136 1.911596 1.922360 1.738388 2.394872 2.170941 1.954095 1.981918 1.751920 1.753025 2.469766 1.943002 1.918240 1.934105 1.919518 1.738561 2.546079 1.933625 1.965586 1.862055 1.947158 1.739883 2.516108 1.939812 1.746937 2.177627 1.985250 1.752439 3.079596 3.153327 3.276318 1.710902 1.008437 29 26 26 23 27 20 21 21 21 21 27 25 23 23 28 20 27 27 23 25 27 20 29 25 22 27 23 24 29 25 23 23 24 25 29 23 23 23 25 23 27 23 23 23 23 21 27 25 23 23 21 23 29 24 23 23 23 20 29 23 25 22 26 21 29 23 22 27 23 25 33 33 35 23 21 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 W P W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H 2.4682 2.3805 2.4661 2.4793 2.3894 2.4478 2.4567 2.4671 2.3862 2.4677 2.4583 2.3471 -1.0468 -0.9898 -1.0439 -1.0501 -0.9594 -0.9902 -0.9286 -0.9710 -0.7610 -0.9647 -0.9773 -0.9592 -0.9649 -0.9628 -0.9613 -0.8283 -0.9607 -0.9879 -0.9460 -0.9759 -0.9735 -0.9830 -0.9719 -0.7866 -0.7895 -0.9805 -0.9768 -0.9731 -0.7944 -0.8318 -0.7917 -0.8035 -0.8225 -0.8034 -0.8130 -0.7885 -0.8273 -0.7948 -0.8008 0.3222 2.0888 2.5088 2.0936 2.0874 2.1198 2.0956 2.0917 2.1113 2.1269 2.0897 2.0929 2.1289 1.8944 1.8983 1.8955 1.8918 1.9318 1.9305 1.9416 1.9305 1.9680 1.9315 1.9299 1.9318 1.9313 1.9308 1.9327 1.9616 1.9439 1.9405 1.9462 1.9412 1.9399 1.9402 1.9412 1.9597 1.8773 1.9413 1.9407 1.9398 1.9653 1.9593 1.9655 1.9634 1.9608 1.9641 1.9624 1.9650 1.9584 1.9652 1.9645 0.5217 6.0947 7.2858 6.0975 6.0889 6.1106 6.0970 6.0937 6.0992 6.0980 6.0944 6.0961 6.1170 5.1129 5.0518 5.1091 5.1187 4.9981 5.0298 4.9567 5.0105 4.7570 5.0041 5.0178 4.9975 5.0037 5.0016 4.9989 4.8335 4.9866 5.0152 4.9691 5.0028 5.0016 5.0110 4.9989 4.7932 4.8818 5.0087 5.0039 5.0013 4.7936 4.8391 4.7907 4.8050 4.8278 4.8041 4.8162 4.7880 4.8357 4.7941 4.8009 0.1561 3.3187 0.8249 3.3132 3.3149 3.3516 3.3304 3.3285 3.2931 3.3604 3.3187 3.3234 3.3788 0.0394 0.0398 0.0393 0.0396 0.0295 0.0298 0.0303 0.0300 0.0360 0.0291 0.0296 0.0300 0.0299 0.0304 0.0297 0.0332 0.0303 0.0322 0.0307 0.0319 0.0320 0.0318 0.0318 0.0338 0.0304 0.0305 0.0321 0.0321 0.0355 0.0333 0.0355 0.0350 0.0338 0.0352 0.0345 0.0354 0.0332 0.0355 0.0353 0.0000 14.0296 0.0000 14.0296 14.0296 14.0286 14.0292 14.0295 14.0293 14.0285 14.0295 14.0293 14.0281 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 W P W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H 2.515349 2.007856 2.520212 2.512704 2.483508 2.503863 2.501380 2.535483 2.495052 2.513244 2.507722 2.467738 -1.029165 -0.980237 -1.026505 -1.036266 -0.961712 -0.978360 -0.948407 -0.967401 -0.823090 -0.971037 -0.964409 -0.962401 -0.968094 -0.959662 -0.965540 -0.791986 -0.953826 -0.951077 -0.948281 -0.956296 -0.956492 -0.957705 -0.954918 -0.837180 -0.617184 -0.963378 -0.955685 -0.956127 -0.828270 -0.876656 -0.825611 -0.840766 -0.865651 -0.839724 -0.852402 -0.822011 -0.870672 -0.829151 -0.836655 0.065880 1.936501 1.581902 1.942391 1.936353 1.918872 1.935550 1.928431 1.960848 1.942442 1.935679 1.934712 1.927911 -0.739205 -0.711131 -0.739353 -0.746560 -0.715055 -0.726232 -0.738434 -0.721901 -0.711422 -0.729396 -0.713192 -0.726142 -0.725457 -0.718359 -0.733837 -0.660482 -0.798266 -0.769452 -0.798020 -0.784868 -0.779584 -0.780409 -0.787372 -0.740765 -0.785545 -0.797961 -0.782716 -0.780396 -0.731977 -0.786883 -0.730661 -0.745113 -0.774312 -0.742315 -0.756221 -0.716597 -0.784931 -0.732188 -0.740686 0.301804 2.042421 1.539269 2.050701 2.042871 2.012166 2.038819 2.031201 2.073007 2.035310 2.042354 2.041567 2.015791 -0.800860 -0.781125 -0.803751 -0.810826 -0.801838 -0.805514 -0.795413 -0.808086 -0.719418 -0.807662 -0.806323 -0.796845 -0.799646 -0.825024 -0.808147 -0.726824 -0.828702 -0.804806 -0.821940 -0.824567 -0.813663 -0.829354 -0.819102 -0.727400 -0.793364 -0.834788 -0.825629 -0.812767 -0.695389 -0.760922 -0.696556 -0.711940 -0.742885 -0.710765 -0.723263 -0.697588 -0.769044 -0.698012 -0.708033 0.382302 -0.27300324 -0.82263531 2.72542449 2.85992977 -15.38035052 5.05168541 -3.14220987 14.06475364 5.99854013 1.31559688 -390.8711 404.0124 -26.6992 -403.4103 -42.7646 -459.7329 Nov02-2023 13:48:29 Nodes: 1 Procs: 1 Nov02-2023 13:48:29 Nodes: 1 Procs: 1 0 Nov02-2023 13:48:30 Nodes: 1 Procs: 1 Nov02-2023 13:48:30 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Nov02-2023 13:48:31 Nodes: 1 Procs: 1 Nov02-2023 13:48:31 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Nov02-2023 13:48:31 Nodes: 1 Procs: 1 Nov02-2023 13:48:32 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Nov02-2023 13:48:34 Nodes: 1 Procs: 28 *** (NO TITLE) *** -6 -16.88806362 -16.88962347 -16.89160445 -16.89260660 -16.89408736 -16.89453864 -16.89476277 -16.89481844 -16.89485373 -16.89485703 -16.89486443 -16.89487340 GEOMETRY CONVERGED