ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:09 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.77 0.03 1.94 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 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:16 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.48 0.07 2.13 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 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:28 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.58 0.07 1.98 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:28 Nodes: 1 Procs: 1 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:40 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.05 1.35 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 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:28 Nodes: 1 Procs: 1 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:40 Nodes: 1 Procs: 1 Jun10-2024 15:28:45 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:51 Hydrogen (TZP) c3-3 c3-3 c3-3 c3-3 c3-3 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.69 0.07 3.12 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 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 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-1.813483 2.461711 -1.879375 Rho 0.4361415E+07 3,-3 3 3 -3 1.792370 2.494341 1.891697 Rho 0.4361415E+07 3,-3 4 3 -3 1.684656 2.537273 -1.881828 Rho 0.4361415E+07 3,-3 5 3 -3 -1.682593 2.622792 1.888029 Rho 0.4361415E+07 3,-3 6 3 -3 -0.145945 -0.000896 3.546298 Rho 0.4361415E+07 3,-3 7 3 -3 3.679448 -0.145100 -0.042379 Rho 0.4361415E+07 3,-3 8 3 -3 2.737584 -3.681198 -2.843607 Rho 0.3193076E+03 3,-3 9 3 -3 2.795205 3.785106 -2.444042 Rho 0.3191949E+03 3,-3 10 3 -3 -2.688336 3.909974 2.537420 Rho 0.3192204E+03 3,-3 11 3 -3 1.266352 -1.118263 0.003918 Rho 0.3190227E+03 3,-3 12 3 -3 -1.607853 -1.196720 0.005317 Rho 0.3192556E+03 3,-3 13 3 -3 -0.129976 0.856006 -1.367442 Rho 0.3190228E+03 3,-3 14 3 -3 -0.107024 0.850226 1.382569 Rho 0.3190113E+03 3,-3 15 3 -3 -1.465874 -1.132223 3.254969 Rho 0.3192501E+03 3,-3 16 3 -3 1.301717 -1.176315 -2.899963 Rho 0.3189491E+03 3,-3 17 3 -3 -3.063647 1.325997 1.369892 Rho 0.3187041E+03 3,-3 18 3 -3 2.932553 1.185358 -1.249788 Rho 0.3188434E+03 3,-3 19 3 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36 3 -3 2.389164 -3.415744 -0.003780 Rho 0.3189544E+03 3,-3 37 3 -3 0.017013 3.414526 -2.068868 Rho 0.3189455E+03 3,-3 38 3 -3 2.745702 -3.629119 2.826424 Rho 0.3191821E+03 3,-3 39 3 -3 5.390927 0.277463 -0.035684 Rho 0.3191946E+03 3,-3 40 3 -3 -2.755865 3.803986 -2.537380 Rho 0.3191925E+03 3,-3 41 3 -3 2.850202 3.761420 2.504782 Rho 0.3192026E+03 3,-3 42 3 -3 1.825254 -2.664211 -1.729481 Rho 0.1240649E+06 3,-3 43 3 -3 -0.093011 -0.024044 -3.583735 Rho 0.1240649E+06 3,-3 44 3 -3 -0.268136 -0.244002 0.001954 Rho 0.4276110E+05 3,-3 45 3 -3 -3.076933 1.165147 0.378880 Rho 0.4363737E+00 3,-3 46 3 -1 -3.069194 1.229388 -0.199653 Rho 0.4189897E-01 |GRAD(Rho)| 0.3499206E-13 GRAD(Rho)x 0.9186973E-14 GRAD(Rho)y -0.4459958E-14 GRAD(Rho)z -0.3346868E-13 Laplacian 0.1186777E+00 (-1/4)Del**2(Rho)) -0.2966943E-01 Diamond 0.7135953E-01 Metallicity 0.2934830E+01 Ellipticity 0.7990131E-02 Gb(Abramov) 0.3429207E-01 Vb(Abramov) -0.3891472E-01 Hb(Abramov) -0.4622645E-02 Ex_ueg -0.1074788E-01 Ec_ueg -0.1972233E-02 Delta_ex -0.1065814E-01 Delta_ec 0.5883139E-02 Delta_et -0.5954551E-01 Pxc 0.5449602E+01 Qxc -0.1811642E+01 3,-1 47 3 -1 -3.072880 1.202371 0.601600 Rho 0.3116390E+00 |GRAD(Rho)| 0.2726312E-11 GRAD(Rho)x -0.2019411E-11 GRAD(Rho)y 0.1456966E-11 GRAD(Rho)z 0.1109958E-11 Laplacian -0.1547821E+01 (-1/4)Del**2(Rho)) 0.3869552E+00 Diamond 0.5317960E+01 Metallicity -0.6377426E+01 Ellipticity 0.5457204E-02 Gb(Abramov) 0.1533262E+00 Vb(Abramov) -0.6936076E+00 Hb(Abramov) -0.5402814E+00 Ex_ueg -0.1560465E+00 Ec_ueg -0.1953210E-01 Delta_ex 0.1522482E+00 Delta_ec 0.5452680E-01 Delta_et -0.1278462E+01 Pxc 0.7989234E+01 Qxc 0.2792173E+01 3,-1 48 3 +3 -1.719017 1.039224 0.023535 Rho 0.4734681E-02 |GRAD(Rho)| 0.6046046E-15 GRAD(Rho)x 0.7174805E-16 GRAD(Rho)y 0.5939336E-15 GRAD(Rho)z -0.8741744E-16 Laplacian 0.1804767E-01 (-1/4)Del**2(Rho)) -0.4511918E-02 Diamond 0.1405382E-03 Metallicity 0.5097334E+00 Ellipticity -0.4285796E+00 Gb(Abramov) 0.3391258E-02 Vb(Abramov) -0.2270598E-02 Hb(Abramov) 0.1120660E-02 Ex_ueg -0.5871819E-03 Ec_ueg -0.1355129E-03 Delta_ex -0.6377216E-03 Delta_ec 0.1215259E-03 Delta_et -0.8309156E-03 Pxc 0.4333031E+01 Qxc -0.5247621E+01 3,+3 49 3 +1 -2.523663 1.885153 -0.028870 Rho 0.1459313E-01 |GRAD(Rho)| 0.2070635E-15 GRAD(Rho)x -0.1233971E-16 GRAD(Rho)y -0.1592365E-15 GRAD(Rho)z -0.1317830E-15 Laplacian 0.6783822E-01 (-1/4)Del**2(Rho)) -0.1695955E-01 Diamond 0.3571156E-02 Metallicity 0.8852233E+00 Ellipticity -0.1415724E+01 Gb(Abramov) 0.1380853E-01 Vb(Abramov) -0.1065752E-01 Hb(Abramov) 0.3151019E-02 Ex_ueg -0.2633801E-02 Ec_ueg -0.5805623E-03 Delta_ex -0.3515827E-02 Delta_ec 0.8864626E-03 Delta_et -0.6965435E-02 Pxc 0.4536639E+01 Qxc -0.3966131E+01 3,+1 50 3 -1 -2.487150 1.833596 -1.588800 Rho 0.2094885E+00 |GRAD(Rho)| 0.4725638E-12 GRAD(Rho)x 0.3178072E-12 GRAD(Rho)y -0.1381677E-12 GRAD(Rho)z -0.3212860E-12 Laplacian 0.8136823E+00 (-1/4)Del**2(Rho)) -0.2034206E+00 Diamond 0.2424435E+01 Metallicity 0.6257854E+01 Ellipticity 0.1964353E-01 Gb(Abramov) 0.3477764E+00 Vb(Abramov) -0.4921323E+00 Hb(Abramov) -0.1443558E+00 Ex_ueg -0.9188940E-01 Ec_ueg -0.1235550E-01 Delta_ex -0.9478397E-01 Delta_ec 0.1847410E-01 Delta_et -0.2533050E+00 Pxc 0.7437125E+01 Qxc -0.5130640E+01 3,-1 51 3 -1 -2.402895 1.934384 1.592053 Rho 0.1385560E+00 |GRAD(Rho)| 0.2750940E-15 GRAD(Rho)x -0.4420834E-16 GRAD(Rho)y -0.2648299E-15 GRAD(Rho)z -0.5989539E-16 Laplacian 0.5246067E+00 (-1/4)Del**2(Rho)) -0.1311517E+00 Diamond 0.9800705E+00 Metallicity 0.4873282E+01 Ellipticity 0.1097805E+00 Gb(Abramov) 0.1939577E+00 Vb(Abramov) -0.2567636E+00 Hb(Abramov) -0.6280597E-01 Ex_ueg -0.5295239E-01 Ec_ueg -0.7715008E-02 Delta_ex -0.5540593E-01 Delta_ec 0.1384172E-01 Delta_et -0.1826934E+00 Pxc 0.6863556E+01 Qxc -0.4002821E+01 3,-1 52 3 +1 -0.018744 2.979399 -0.247837 Rho 0.6041483E-02 |GRAD(Rho)| 0.1541836E-16 GRAD(Rho)x 0.1541461E-16 GRAD(Rho)y -0.5261538E-19 GRAD(Rho)z 0.3356127E-18 Laplacian 0.2522099E-01 (-1/4)Del**2(Rho)) -0.6305247E-02 Diamond 0.6809018E-03 Metallicity 0.5475498E+00 Ellipticity -0.2186348E+01 Gb(Abramov) 0.4778904E-02 Vb(Abramov) -0.3252561E-02 Hb(Abramov) 0.1526343E-02 Ex_ueg -0.8126617E-03 Ec_ueg -0.1920038E-03 Delta_ex -0.1245186E-02 Delta_ec 0.6940688E-03 Delta_et -0.4028764E-02 Pxc 0.4232530E+01 Qxc -0.1794038E+01 3,+1 53 3 +3 -0.025420 2.165745 0.003507 Rho 0.4392693E-02 |GRAD(Rho)| 0.2648724E-15 GRAD(Rho)x -0.4083345E-16 GRAD(Rho)y -0.1810085E-15 GRAD(Rho)z 0.1890130E-15 Laplacian 0.1794038E-01 (-1/4)Del**2(Rho)) -0.4485096E-02 Diamond 0.1255179E-03 Metallicity 0.4525496E+00 Ellipticity -0.2604735E+00 Gb(Abramov) 0.3328352E-02 Vb(Abramov) -0.2171608E-02 Hb(Abramov) 0.1156744E-02 Ex_ueg -0.5313241E-03 Ec_ueg -0.1208723E-03 Delta_ex -0.6207398E-03 Delta_ec 0.1195676E-03 Delta_et -0.8068110E-03 Pxc 0.4395749E+01 Qxc -0.5191537E+01 3,+3 54 3 -1 -2.227346 0.210130 0.563123 Rho 0.7168543E-02 |GRAD(Rho)| 0.2517403E-16 GRAD(Rho)x -0.3976516E-17 GRAD(Rho)y 0.2037871E-16 GRAD(Rho)z 0.1423472E-16 Laplacian 0.2621845E-01 (-1/4)Del**2(Rho)) -0.6554612E-02 Diamond 0.1051545E-02 Metallicity 0.7004724E+00 Ellipticity 0.2680273E+00 Gb(Abramov) 0.5134962E-02 Vb(Abramov) -0.3715312E-02 Hb(Abramov) 0.1419650E-02 Ex_ueg -0.1020845E-02 Ec_ueg -0.2413954E-03 Delta_ex -0.1433687E-02 Delta_ec 0.8856929E-03 Delta_et -0.5334602E-02 Pxc 0.4228931E+01 Qxc -0.1618718E+01 3,-1 55 3 -1 -2.172028 0.214889 -0.632246 Rho 0.7076415E-02 |GRAD(Rho)| 0.2836928E-16 GRAD(Rho)x -0.2359397E-16 GRAD(Rho)y 0.1172715E-16 GRAD(Rho)z -0.1051735E-16 Laplacian 0.2515877E-01 (-1/4)Del**2(Rho)) -0.6289692E-02 Diamond 0.9590084E-03 Metallicity 0.7144073E+00 Ellipticity 0.1038206E+01 Gb(Abramov) 0.4942028E-02 Vb(Abramov) -0.3594365E-02 Hb(Abramov) 0.1347664E-02 Ex_ueg -0.1003389E-02 Ec_ueg -0.2373354E-03 Delta_ex -0.1353159E-02 Delta_ec 0.8158738E-03 Delta_et -0.4907140E-02 Pxc 0.4227727E+01 Qxc -0.1658539E+01 3,-1 56 3 +1 -0.825645 1.598883 0.018018 Rho 0.7905297E-02 |GRAD(Rho)| 0.2975358E-16 GRAD(Rho)x 0.2735432E-16 GRAD(Rho)y -0.1015103E-17 GRAD(Rho)z -0.1166133E-16 Laplacian 0.3131286E-01 (-1/4)Del**2(Rho)) -0.7828214E-02 Diamond 0.7191828E-03 Metallicity 0.6903788E+00 Ellipticity -0.1356471E+01 Gb(Abramov) 0.6119548E-02 Vb(Abramov) -0.4410882E-02 Hb(Abramov) 0.1708666E-02 Ex_ueg -0.1163079E-02 Ec_ueg -0.2740052E-03 Delta_ex -0.1386333E-02 Delta_ec 0.4154540E-03 Delta_et -0.2799555E-02 Pxc 0.4244735E+01 Qxc -0.3336911E+01 3,+1 57 3 +1 0.698286 -0.635009 -1.526798 Rho 0.8608581E-02 |GRAD(Rho)| 0.1874900E-14 GRAD(Rho)x -0.5299295E-15 GRAD(Rho)y -0.1209342E-14 GRAD(Rho)z 0.1331134E-14 Laplacian 0.3418517E-01 (-1/4)Del**2(Rho)) -0.8546294E-02 Diamond 0.9044637E-03 Metallicity 0.7288889E+00 Ellipticity -0.1410142E+01 Gb(Abramov) 0.6735745E-02 Vb(Abramov) -0.4925197E-02 Hb(Abramov) 0.1810548E-02 Ex_ueg -0.1303048E-02 Ec_ueg -0.3053641E-03 Delta_ex -0.1556878E-02 Delta_ec 0.4717056E-03 Delta_et -0.3232496E-02 Pxc 0.4267195E+01 Qxc -0.3300528E+01 3,+1 58 3 +1 -2.343067 0.343007 -0.074581 Rho 0.6124779E-02 |GRAD(Rho)| 0.4756344E-17 GRAD(Rho)x -0.4921072E-18 GRAD(Rho)y 0.3610359E-17 GRAD(Rho)z 0.3057114E-17 Laplacian 0.2183873E-01 (-1/4)Del**2(Rho)) -0.5459682E-02 Diamond 0.4458065E-03 Metallicity 0.6469487E+00 Ellipticity -0.1679312E+01 Gb(Abramov) 0.4228477E-02 Vb(Abramov) -0.2997272E-02 Hb(Abramov) 0.1231205E-02 Ex_ueg -0.8276352E-03 Ec_ueg -0.1956332E-03 Delta_ex -0.9716255E-03 Delta_ec 0.4052311E-03 Delta_et -0.2449737E-02 Pxc 0.4230546E+01 Qxc -0.2397707E+01 3,+1 59 3 +1 -1.938410 0.359866 -0.693613 Rho 0.6982356E-02 |GRAD(Rho)| 0.1167651E-16 GRAD(Rho)x -0.1118129E-16 GRAD(Rho)y 0.3158288E-17 GRAD(Rho)z -0.1159676E-17 Laplacian 0.2490035E-01 (-1/4)Del**2(Rho)) -0.6225087E-02 Diamond 0.7171589E-03 Metallicity 0.7059020E+00 Ellipticity -0.2721998E+01 Gb(Abramov) 0.4882442E-02 Vb(Abramov) -0.3539796E-02 Hb(Abramov) 0.1342645E-02 Ex_ueg -0.9856462E-03 Ec_ueg -0.2331944E-03 Delta_ex -0.1207739E-02 Delta_ec 0.5790928E-03 Delta_et -0.3554087E-02 Pxc 0.4226714E+01 Qxc -0.2085571E+01 3,+1 60 3 +1 -1.869188 0.430620 0.706617 Rho 0.6816125E-02 |GRAD(Rho)| 0.2250481E-17 GRAD(Rho)x -0.1773277E-18 GRAD(Rho)y 0.2159469E-17 GRAD(Rho)z 0.6082027E-18 Laplacian 0.2491827E-01 (-1/4)Del**2(Rho)) -0.6229568E-02 Diamond 0.6491336E-03 Metallicity 0.6776278E+00 Ellipticity -0.2042854E+01 Gb(Abramov) 0.4856600E-02 Vb(Abramov) -0.3483632E-02 Hb(Abramov) 0.1372968E-02 Ex_ueg -0.9544837E-03 Ec_ueg -0.2258862E-03 Delta_ex -0.1174188E-02 Delta_ec 0.5295461E-03 Delta_et -0.3253668E-02 Pxc 0.4225506E+01 Qxc -0.2217349E+01 3,+1 61 3 +1 -0.003833 2.101929 -1.699914 Rho 0.2453735E-01 |GRAD(Rho)| 0.2632120E-16 GRAD(Rho)x 0.1506769E-16 GRAD(Rho)y 0.2158140E-16 GRAD(Rho)z -0.1162861E-18 Laplacian 0.9489330E-01 (-1/4)Del**2(Rho)) -0.2372333E-01 Diamond 0.1270804E-01 Metallicity 0.1504609E+01 Ellipticity -0.5179761E+01 Gb(Abramov) 0.2176461E-01 Vb(Abramov) -0.1980589E-01 Hb(Abramov) 0.1958719E-02 Ex_ueg -0.5266094E-02 Ec_ueg -0.1065449E-02 Delta_ex -0.5940649E-02 Delta_ec 0.1731950E-02 Delta_et -0.1518864E-01 Pxc 0.4942607E+01 Qxc -0.3430036E+01 3,+1 62 3 -1 -1.543000 1.978786 -2.742325 Rho 0.1484299E+00 |GRAD(Rho)| 0.1058043E-15 GRAD(Rho)x 0.3727623E-16 GRAD(Rho)y -0.3710682E-16 GRAD(Rho)z -0.9180482E-16 Laplacian 0.5734831E+00 (-1/4)Del**2(Rho)) -0.1433708E+00 Diamond 0.1156410E+01 Metallicity 0.4999904E+01 Ellipticity 0.5599026E-01 Gb(Abramov) 0.2150539E+00 Vb(Abramov) -0.2867370E+00 Hb(Abramov) -0.7168310E-01 Ex_ueg -0.5804262E-01 Ec_ueg -0.8343083E-02 Delta_ex -0.6151702E-01 Delta_ec 0.1474808E-01 Delta_et -0.1963993E+00 Pxc 0.6956976E+01 Qxc -0.4171187E+01 3,-1 63 3 -1 0.823650 1.641063 1.621643 Rho 0.3247858E-01 |GRAD(Rho)| 0.2734602E-13 GRAD(Rho)x 0.2391869E-13 GRAD(Rho)y 0.1192047E-13 GRAD(Rho)z 0.5796852E-14 Laplacian 0.1196812E+00 (-1/4)Del**2(Rho)) -0.2992029E-01 Diamond 0.3176508E-01 Metallicity 0.1903629E+01 Ellipticity 0.1141309E+00 Gb(Abramov) 0.2943972E-01 Vb(Abramov) -0.2895915E-01 Hb(Abramov) 0.4805738E-03 Ex_ueg -0.7653283E-02 Ec_ueg -0.1472150E-02 Delta_ex -0.8700717E-02 Delta_ec 0.3305130E-02 Delta_et -0.3103453E-01 Pxc 0.5198712E+01 Qxc -0.2632488E+01 3,-1 64 3 -1 -0.956562 1.625091 -1.591678 Rho 0.4951764E-01 |GRAD(Rho)| 0.4979216E-16 GRAD(Rho)x -0.4493806E-16 GRAD(Rho)y 0.1978034E-16 GRAD(Rho)z 0.8280594E-17 Laplacian 0.1889604E+00 (-1/4)Del**2(Rho)) -0.4724010E-01 Diamond 0.9336130E-01 Metallicity 0.2435056E+01 Ellipticity 0.1119064E-01 Gb(Abramov) 0.5066544E-01 Vb(Abramov) -0.5409079E-01 Hb(Abramov) -0.3425349E-02 Ex_ueg -0.1342966E-01 Ec_ueg -0.2388228E-02 Delta_ex -0.1546464E-01 Delta_ec 0.5539177E-02 Delta_et -0.5823647E-01 Pxc 0.5623273E+01 Qxc -0.2791866E+01 3,-1 65 3 +3 1.468565 0.952589 0.049994 Rho 0.3608016E-02 |GRAD(Rho)| 0.2073804E-16 GRAD(Rho)x -0.1139780E-16 GRAD(Rho)y -0.1369080E-16 GRAD(Rho)z -0.1061688E-16 Laplacian 0.1406750E-01 (-1/4)Del**2(Rho)) -0.3516876E-02 Diamond 0.7335074E-04 Metallicity 0.4157608E+00 Ellipticity -0.2515368E+00 Gb(Abramov) 0.2588280E-02 Vb(Abramov) -0.1659685E-02 Hb(Abramov) 0.9285954E-03 Ex_ueg -0.4087047E-03 Ec_ueg -0.8751084E-04 Delta_ex -0.4593490E-03 Delta_ec 0.8868940E-04 Delta_et -0.5831467E-03 Pxc 0.4670333E+01 Qxc -0.5179300E+01 3,+3 66 3 -1 -1.514180 2.056477 2.726008 Rho 0.1484115E+00 |GRAD(Rho)| 0.1078426E-12 GRAD(Rho)x -0.7257556E-13 GRAD(Rho)y -0.7196540E-13 GRAD(Rho)z 0.3440634E-13 Laplacian 0.5850211E+00 (-1/4)Del**2(Rho)) -0.1462553E+00 Diamond 0.1172334E+01 Metallicity 0.4900280E+01 Ellipticity 0.5905821E-01 Gb(Abramov) 0.2169522E+00 Vb(Abramov) -0.2876490E+00 Hb(Abramov) -0.7069688E-01 Ex_ueg -0.5803302E-01 Ec_ueg -0.8341905E-02 Delta_ex -0.6268038E-01 Delta_ec 0.1491598E-01 Delta_et -0.1983413E+00 Pxc 0.6956806E+01 Qxc -0.4202229E+01 3,-1 67 3 +1 2.354643 -1.345659 -0.741341 Rho 0.2116894E-01 |GRAD(Rho)| 0.2008739E-16 GRAD(Rho)x -0.1423442E-16 GRAD(Rho)y -0.5579759E-17 GRAD(Rho)z -0.1302884E-16 Laplacian 0.7968328E-01 (-1/4)Del**2(Rho)) -0.1992082E-01 Diamond 0.8519448E-02 Metallicity 0.1400913E+01 Ellipticity -0.3710542E+01 Gb(Abramov) 0.1793177E-01 Vb(Abramov) -0.1594272E-01 Hb(Abramov) 0.1989051E-02 Ex_ueg -0.4324978E-02 Ec_ueg -0.8978313E-03 Delta_ex -0.4772763E-02 Delta_ec 0.1407666E-02 Delta_et -0.1190545E-01 Pxc 0.4817139E+01 Qxc -0.3390551E+01 3,+1 68 3 -1 -0.457522 -2.190948 -2.514056 Rho 0.5512831E-02 |GRAD(Rho)| 0.6769968E-15 GRAD(Rho)x 0.5785128E-15 GRAD(Rho)y 0.3362391E-15 GRAD(Rho)z -0.1029120E-15 Laplacian 0.2246676E-01 (-1/4)Del**2(Rho)) -0.5616691E-02 Diamond 0.7397598E-03 Metallicity 0.5276717E+00 Ellipticity 0.2828724E+01 Gb(Abramov) 0.4238422E-02 Vb(Abramov) -0.2860153E-02 Hb(Abramov) 0.1378269E-02 Ex_ueg -0.7192579E-03 Ec_ueg -0.1690483E-03 Delta_ex -0.1254448E-02 Delta_ec 0.9146106E-03 Delta_et -0.5032011E-02 Pxc 0.4254747E+01 Qxc -0.1371565E+01 3,-1 69 3 +1 -0.016436 2.029189 2.861439 Rho 0.1211387E-01 |GRAD(Rho)| 0.6495912E-14 GRAD(Rho)x -0.5162288E-15 GRAD(Rho)y -0.3901132E-14 GRAD(Rho)z -0.5168323E-14 Laplacian 0.5643353E-01 (-1/4)Del**2(Rho)) -0.1410838E-01 Diamond 0.1867984E-02 Metallicity 0.7802143E+00 Ellipticity -0.1148749E+01 Gb(Abramov) 0.1124018E-01 Vb(Abramov) -0.8371981E-02 Hb(Abramov) 0.2868201E-02 Ex_ueg -0.2054765E-02 Ec_ueg -0.4648280E-03 Delta_ex -0.2660228E-02 Delta_ec 0.5170971E-03 Delta_et -0.4051028E-02 Pxc 0.4420484E+01 Qxc -0.5144543E+01 3,+1 70 3 +1 -0.648456 1.033180 -2.517390 Rho 0.2789674E-01 |GRAD(Rho)| 0.5990554E-15 GRAD(Rho)x -0.1463474E-15 GRAD(Rho)y -0.5213813E-15 GRAD(Rho)z -0.2561471E-15 Laplacian 0.1094468E+00 (-1/4)Del**2(Rho)) -0.2736171E-01 Diamond 0.1614214E-01 Metallicity 0.1615595E+01 Ellipticity -0.3574036E+01 Gb(Abramov) 0.2560871E-01 Vb(Abramov) -0.2385571E-01 Hb(Abramov) 0.1752996E-02 Ex_ueg -0.6248701E-02 Ec_ueg -0.1235638E-02 Delta_ex -0.6962576E-02 Delta_ec 0.1772566E-02 Delta_et -0.1608077E-01 Pxc 0.5057064E+01 Qxc -0.3927964E+01 3,+1 71 3 -1 -0.884364 1.700148 1.606715 Rho 0.4485641E-01 |GRAD(Rho)| 0.3913327E-16 GRAD(Rho)x -0.3397915E-16 GRAD(Rho)y -0.1752088E-16 GRAD(Rho)z 0.8357568E-17 Laplacian 0.1702967E+00 (-1/4)Del**2(Rho)) -0.4257418E-01 Diamond 0.7276878E-01 Metallicity 0.2291472E+01 Ellipticity 0.2313711E-01 Gb(Abramov) 0.4464237E-01 Vb(Abramov) -0.4671057E-01 Hb(Abramov) -0.2068193E-02 Ex_ueg -0.1177112E-01 Ec_ueg -0.2132592E-02 Delta_ex -0.1355566E-01 Delta_ec 0.4925720E-02 Delta_et -0.5044715E-01 Pxc 0.5519629E+01 Qxc -0.2752016E+01 3,-1 72 3 +1 -0.017056 2.966710 0.265033 Rho 0.6122574E-02 |GRAD(Rho)| 0.7928423E-17 GRAD(Rho)x -0.7309054E-17 GRAD(Rho)y 0.1316979E-17 GRAD(Rho)z 0.2775461E-17 Laplacian 0.2564841E-01 (-1/4)Del**2(Rho)) -0.6412104E-02 Diamond 0.7610739E-03 Metallicity 0.5505238E+00 Ellipticity -0.2978564E+01 Gb(Abramov) 0.4863072E-02 Vb(Abramov) -0.3314040E-02 Hb(Abramov) 0.1549032E-02 Ex_ueg -0.8272380E-03 Ec_ueg -0.1955371E-03 Delta_ex -0.1309547E-02 Delta_ec 0.7768001E-03 Delta_et -0.4494805E-02 Pxc 0.4230594E+01 Qxc -0.1685823E+01 3,+1 73 3 -1 -0.840028 2.949786 -1.971454 Rho 0.1036471E+00 |GRAD(Rho)| 0.3233902E-11 GRAD(Rho)x -0.3056755E-11 GRAD(Rho)y 0.1032150E-11 GRAD(Rho)z -0.2214509E-12 Laplacian 0.4175296E+00 (-1/4)Del**2(Rho)) -0.1043824E+00 Diamond 0.5391810E+00 Metallicity 0.3774457E+01 Ellipticity 0.1428958E-01 Gb(Abramov) 0.1352527E+00 Vb(Abramov) -0.1661231E+00 Hb(Abramov) -0.3087034E-01 Ex_ueg -0.3595792E-01 Ec_ueg -0.5546505E-02 Delta_ex -0.4098153E-01 Delta_ec 0.1146232E-01 Delta_et -0.1432754E+00 Pxc 0.6482987E+01 Qxc -0.3575325E+01 3,-1 74 3 -1 -0.018197 2.963432 0.067945 Rho 0.6154445E-02 |GRAD(Rho)| 0.1213196E-16 GRAD(Rho)x 0.1187699E-16 GRAD(Rho)y -0.1613720E-18 GRAD(Rho)z -0.2468880E-17 Laplacian 0.2492965E-01 (-1/4)Del**2(Rho)) -0.6232413E-02 Diamond 0.8929442E-03 Metallicity 0.5713187E+00 Ellipticity 0.2492612E+01 Gb(Abramov) 0.4748391E-02 Vb(Abramov) -0.3264369E-02 Hb(Abramov) 0.1484022E-02 Ex_ueg -0.8329845E-03 Ec_ueg -0.1969266E-03 Delta_ex -0.1378367E-02 Delta_ec 0.9410447E-03 Delta_et -0.5377646E-02 Pxc 0.4229923E+01 Qxc -0.1464720E+01 3,-1 75 3 -1 -0.760955 3.041719 2.005023 Rho 0.1531258E+00 |GRAD(Rho)| 0.5482568E-15 GRAD(Rho)x 0.4874844E-15 GRAD(Rho)y 0.2508302E-15 GRAD(Rho)z -0.5360024E-17 Laplacian 0.6183783E+00 (-1/4)Del**2(Rho)) -0.1545946E+00 Diamond 0.1278941E+01 Metallicity 0.4883971E+01 Ellipticity 0.5403146E-01 Gb(Abramov) 0.2289023E+00 Vb(Abramov) -0.3032100E+00 Hb(Abramov) -0.7430770E-01 Ex_ueg -0.6050385E-01 Ec_ueg -0.8643912E-02 Delta_ex -0.6669141E-01 Delta_ec 0.1551181E-01 Delta_et -0.2068469E+00 Pxc 0.6999591E+01 Qxc -0.4299396E+01 3,-1 76 3 +1 -0.367306 -2.136045 -2.528865 Rho 0.5506074E-02 |GRAD(Rho)| 0.4437856E-17 GRAD(Rho)x -0.5593072E-18 GRAD(Rho)y 0.3588327E-17 GRAD(Rho)z -0.2550618E-17 Laplacian 0.2340215E-01 (-1/4)Del**2(Rho)) -0.5850537E-02 Diamond 0.6776795E-03 Metallicity 0.5055461E+00 Ellipticity -0.4221140E+01 Gb(Abramov) 0.4393311E-02 Vb(Abramov) -0.2936085E-02 Hb(Abramov) 0.1457226E-02 Ex_ueg -0.7180826E-03 Ec_ueg -0.1687558E-03 Delta_ex -0.1231586E-02 Delta_ec 0.8191315E-03 Delta_et -0.4546281E-02 Pxc 0.4255158E+01 Qxc -0.1503527E+01 3,+1 77 3 -1 0.683090 0.796510 -3.482429 Rho 0.7749327E-01 |GRAD(Rho)| 0.5225464E-13 GRAD(Rho)x -0.1695924E-13 GRAD(Rho)y -0.2879273E-13 GRAD(Rho)z -0.4017350E-13 Laplacian 0.3130960E+00 (-1/4)Del**2(Rho)) -0.7827399E-01 Diamond 0.2822398E+00 Metallicity 0.3100100E+01 Ellipticity 0.1612025E-01 Gb(Abramov) 0.9262553E-01 Vb(Abramov) -0.1069771E+00 Hb(Abramov) -0.1435153E-01 Ex_ueg -0.2440078E-01 Ec_ueg -0.3983233E-02 Delta_ex -0.2869031E-01 Delta_ec 0.9051739E-02 Delta_et -0.1063658E+00 Pxc 0.6125872E+01 Qxc -0.3169591E+01 3,-1 78 3 -1 -0.734939 0.816968 -3.529751 Rho 0.1123837E+00 |GRAD(Rho)| 0.6952454E-16 GRAD(Rho)x 0.1650698E-16 GRAD(Rho)y 0.4105060E-16 GRAD(Rho)z -0.5362862E-16 Laplacian 0.4256282E+00 (-1/4)Del**2(Rho)) -0.1064071E+00 Diamond 0.6107016E+00 Metallicity 0.4237291E+01 Ellipticity 0.3677161E-01 Gb(Abramov) 0.1460843E+00 Vb(Abramov) -0.1857616E+00 Hb(Abramov) -0.3967727E-01 Ex_ueg -0.4005495E-01 Ec_ueg -0.6081134E-02 Delta_ex -0.4265076E-01 Delta_ec 0.1159726E-01 Delta_et -0.1473643E+00 Pxc 0.6586757E+01 Qxc -0.3677659E+01 3,-1 79 3 +1 -0.000455 2.008411 -2.859394 Rho 0.1173202E-01 |GRAD(Rho)| 0.2992704E-16 GRAD(Rho)x 0.5143638E-17 GRAD(Rho)y 0.1882826E-16 GRAD(Rho)z 0.2268629E-16 Laplacian 0.5385665E-01 (-1/4)Del**2(Rho)) -0.1346416E-01 Diamond 0.1721670E-02 Metallicity 0.7750475E+00 Ellipticity -0.1153255E+01 Gb(Abramov) 0.1071534E-01 Vb(Abramov) -0.7966509E-02 Hb(Abramov) 0.2748827E-02 Ex_ueg -0.1968862E-02 Ec_ueg -0.4472121E-03 Delta_ex -0.2521222E-02 Delta_ec 0.5020213E-03 Delta_et -0.3896780E-02 Pxc 0.4402524E+01 Qxc -0.5022141E+01 3,+1 80 3 +3 -0.008501 1.872946 -2.690944 Rho 0.1161592E-01 |GRAD(Rho)| 0.5713693E-15 GRAD(Rho)x -0.5958512E-16 GRAD(Rho)y -0.3264929E-15 GRAD(Rho)z 0.4650966E-15 Laplacian 0.5260210E-01 (-1/4)Del**2(Rho)) -0.1315053E-01 Diamond 0.1208376E-02 Metallicity 0.7804880E+00 Ellipticity -0.7462414E+00 Gb(Abramov) 0.1047765E-01 Vb(Abramov) -0.7804784E-02 Hb(Abramov) 0.2672871E-02 Ex_ueg -0.1942928E-02 Ec_ueg -0.4418678E-03 Delta_ex -0.2319882E-02 Delta_ec 0.2477064E-03 Delta_et -0.2182665E-02 Pxc 0.4397079E+01 Qxc -0.9365452E+01 3,+3 81 3 +1 0.204542 2.095091 1.727198 Rho 0.2265055E-01 |GRAD(Rho)| 0.4306796E-16 GRAD(Rho)x -0.1051285E-16 GRAD(Rho)y -0.3711354E-16 GRAD(Rho)z -0.1915503E-16 Laplacian 0.8330740E-01 (-1/4)Del**2(Rho)) -0.2082685E-01 Diamond 0.8717328E-02 Metallicity 0.1499895E+01 Ellipticity -0.2773652E+01 Gb(Abramov) 0.1909092E-01 Vb(Abramov) -0.1735498E-01 Hb(Abramov) 0.1735935E-02 Ex_ueg -0.4733221E-02 Ec_ueg -0.9711665E-03 Delta_ex -0.4948456E-02 Delta_ec 0.1237883E-02 Delta_et -0.1071683E-01 Pxc 0.4873749E+01 Qxc -0.3997516E+01 3,+1 82 3 +3 -0.015977 1.893432 2.676262 Rho 0.1197086E-01 |GRAD(Rho)| 0.6591012E-17 GRAD(Rho)x -0.3777138E-17 GRAD(Rho)y 0.5401109E-17 GRAD(Rho)z -0.5183639E-19 Laplacian 0.5482112E-01 (-1/4)Del**2(Rho)) -0.1370528E-01 Diamond 0.1278454E-02 Metallicity 0.7874222E+00 Ellipticity -0.7479910E+00 Gb(Abramov) 0.1093549E-01 Vb(Abramov) -0.8165708E-02 Hb(Abramov) 0.2769787E-02 Ex_ueg -0.2022487E-02 Ec_ueg -0.4582241E-03 Delta_ex -0.2428881E-02 Delta_ec 0.2400658E-03 Delta_et -0.2161836E-02 Pxc 0.4413750E+01 Qxc -0.1011756E+02 3,+3 83 3 +1 0.685595 -0.639390 1.512347 Rho 0.9350283E-02 |GRAD(Rho)| 0.1340705E-16 GRAD(Rho)x 0.1368507E-17 GRAD(Rho)y -0.5017115E-17 GRAD(Rho)z 0.1235738E-16 Laplacian 0.3761098E-01 (-1/4)Del**2(Rho)) -0.9402745E-02 Diamond 0.1073768E-02 Metallicity 0.7603376E+00 Ellipticity -0.1389927E+01 Gb(Abramov) 0.7460040E-02 Vb(Abramov) -0.5517335E-02 Hb(Abramov) 0.1942705E-02 Ex_ueg -0.1454849E-02 Ec_ueg -0.3386736E-03 Delta_ex -0.1733217E-02 Delta_ec 0.4901297E-03 Delta_et -0.3453553E-02 Pxc 0.4295728E+01 Qxc -0.3536242E+01 3,+1 84 3 -1 -0.192167 0.280502 0.666083 Rho 0.1590549E+00 |GRAD(Rho)| 0.4055878E-15 GRAD(Rho)x -0.2602085E-16 GRAD(Rho)y -0.3157197E-15 GRAD(Rho)z -0.2532696E-15 Laplacian 0.3727009E+00 (-1/4)Del**2(Rho)) -0.9317523E-01 Diamond 0.8295153E+00 Metallicity 0.8633050E+01 Ellipticity 0.6191500E-02 Gb(Abramov) 0.1961812E+00 Vb(Abramov) -0.2991872E+00 Hb(Abramov) -0.1030060E+00 Ex_ueg -0.6364744E-01 Ec_ueg -0.9025652E-02 Delta_ex -0.4078413E-01 Delta_ec 0.9633410E-02 Delta_et -0.1300414E+00 Pxc 0.7051839E+01 Qxc -0.4233613E+01 3,-1 85 3 -1 -0.127263 0.414995 2.416270 Rho 0.5701464E-01 |GRAD(Rho)| 0.8136682E-14 GRAD(Rho)x -0.3972240E-15 GRAD(Rho)y -0.2691537E-14 GRAD(Rho)z 0.7668340E-14 Laplacian 0.2165021E+00 (-1/4)Del**2(Rho)) -0.5412551E-01 Diamond 0.1302713E+00 Metallicity 0.2688202E+01 Ellipticity 0.1868632E-01 Gb(Abramov) 0.6033372E-01 Vb(Abramov) -0.6654193E-01 Hb(Abramov) -0.6208210E-02 Ex_ueg -0.1620691E-01 Ec_ueg -0.2806136E-02 Delta_ex -0.1838922E-01 Delta_ec 0.6384752E-02 Delta_et -0.6962399E-01 Pxc 0.5775527E+01 Qxc -0.2880177E+01 3,-1 86 3 +1 -0.780636 1.252212 2.368919 Rho 0.2892597E-01 |GRAD(Rho)| 0.2901684E-15 GRAD(Rho)x -0.2745799E-15 GRAD(Rho)y 0.3685916E-16 GRAD(Rho)z -0.8628452E-16 Laplacian 0.1158766E+00 (-1/4)Del**2(Rho)) -0.2896915E-01 Diamond 0.1930309E-01 Metallicity 0.1620929E+01 Ellipticity -0.5971488E+01 Gb(Abramov) 0.2713892E-01 Vb(Abramov) -0.2530869E-01 Hb(Abramov) 0.1830229E-02 Ex_ueg -0.6557962E-02 Ec_ueg -0.1288341E-02 Delta_ex -0.7563898E-02 Delta_ec 0.2090109E-02 Delta_et -0.1909661E-01 Pxc 0.5090236E+01 Qxc -0.3618902E+01 3,+1 87 3 -1 -0.793029 0.839485 3.495825 Rho 0.1208313E+00 |GRAD(Rho)| 0.1084433E-13 GRAD(Rho)x 0.3977572E-14 GRAD(Rho)y -0.4384188E-14 GRAD(Rho)z 0.9086101E-14 Laplacian 0.4620447E+00 (-1/4)Del**2(Rho)) -0.1155112E+00 Diamond 0.7311830E+00 Metallicity 0.4404485E+01 Ellipticity 0.2925518E-01 Gb(Abramov) 0.1618020E+00 Vb(Abramov) -0.2080928E+00 Hb(Abramov) -0.4629081E-01 Ex_ueg -0.4411888E-01 Ec_ueg -0.6603379E-02 Delta_ex -0.4720766E-01 Delta_ec 0.1256623E-01 Delta_et -0.1620684E+00 Pxc 0.6681259E+01 Qxc -0.3756709E+01 3,-1 88 3 -1 -0.112593 0.405317 -2.433296 Rho 0.4719578E-01 |GRAD(Rho)| 0.4461084E-16 GRAD(Rho)x -0.5171421E-17 GRAD(Rho)y 0.4046700E-17 GRAD(Rho)z 0.4412491E-16 Laplacian 0.1821160E+00 (-1/4)Del**2(Rho)) -0.4552899E-01 Diamond 0.8681132E-01 Metallicity 0.2332225E+01 Ellipticity 0.1875824E-01 Gb(Abramov) 0.4804997E-01 Vb(Abramov) -0.5057095E-01 Hb(Abramov) -0.2520981E-02 Ex_ueg -0.1259668E-01 Ec_ueg -0.2260464E-02 Delta_ex -0.1484249E-01 Delta_ec 0.5549891E-02 Delta_et -0.5767190E-01 Pxc 0.5572608E+01 Qxc -0.2674376E+01 3,-1 89 3 -1 -0.202395 0.284333 -0.656250 Rho 0.1616644E+00 |GRAD(Rho)| 0.3035928E-15 GRAD(Rho)x 0.1582935E-16 GRAD(Rho)y 0.2064321E-15 GRAD(Rho)z -0.2220446E-15 Laplacian 0.3824159E+00 (-1/4)Del**2(Rho)) -0.9560399E-01 Diamond 0.8693244E+00 Metallicity 0.8645057E+01 Ellipticity 0.4116391E-02 Gb(Abramov) 0.2014863E+00 Vb(Abramov) -0.3073686E+00 Hb(Abramov) -0.1058823E+00 Ex_ueg -0.6504356E-01 Ec_ueg -0.9194338E-02 Delta_ex -0.4202784E-01 Delta_ec 0.9866811E-02 Delta_et -0.1335427E+00 Pxc 0.7074306E+01 Qxc -0.4259516E+01 3,-1 90 3 -1 -0.022959 -0.063132 4.491267 Rho 0.2231556E+00 |GRAD(Rho)| 0.1341645E-14 GRAD(Rho)x 0.2449619E-15 GRAD(Rho)y -0.4923633E-16 GRAD(Rho)z 0.1318173E-14 Laplacian 0.8354165E+00 (-1/4)Del**2(Rho)) -0.2088541E+00 Diamond 0.2703847E+01 Metallicity 0.6772095E+01 Ellipticity 0.2115372E-01 Gb(Abramov) 0.3749661E+00 Vb(Abramov) -0.5410780E+00 Hb(Abramov) -0.1661120E+00 Ex_ueg -0.9996824E-01 Ec_ueg -0.1328248E-01 Delta_ex -0.9902484E-01 Delta_ec 0.1881857E-01 Delta_et -0.2597146E+00 Pxc 0.7526321E+01 Qxc -0.5262082E+01 3,-1 91 3 -1 0.033720 -0.083819 -4.513881 Rho 0.2125721E+00 |GRAD(Rho)| 0.3236004E-16 GRAD(Rho)x 0.2961905E-16 GRAD(Rho)y 0.1194994E-16 GRAD(Rho)z 0.5204170E-17 Laplacian 0.7861265E+00 (-1/4)Del**2(Rho)) -0.1965316E+00 Diamond 0.2407104E+01 Metallicity 0.6636886E+01 Ellipticity 0.1691703E-01 Gb(Abramov) 0.3484141E+00 Vb(Abramov) -0.5002965E+00 Hb(Abramov) -0.1518825E+00 Ex_ueg -0.9369720E-01 Ec_ueg -0.1256374E-01 Delta_ex -0.9206517E-01 Delta_ec 0.1803493E-01 Delta_et -0.2485003E+00 Pxc 0.7457746E+01 Qxc -0.5104826E+01 3,-1 92 3 +1 1.557819 0.420518 0.843257 Rho 0.5625412E-02 |GRAD(Rho)| 0.3413321E-15 GRAD(Rho)x 0.4543402E-16 GRAD(Rho)y 0.3028859E-15 GRAD(Rho)z 0.1506767E-15 Laplacian 0.2144318E-01 (-1/4)Del**2(Rho)) -0.5360796E-02 Diamond 0.3350026E-03 Metallicity 0.5718049E+00 Ellipticity -0.1351747E+01 Gb(Abramov) 0.4084752E-02 Vb(Abramov) -0.2808708E-02 Hb(Abramov) 0.1276044E-02 Ex_ueg -0.7389088E-03 Ec_ueg -0.1739253E-03 Delta_ex -0.8917479E-03 Delta_ec 0.3197075E-03 Delta_et -0.1940367E-02 Pxc 0.4248426E+01 Qxc -0.2789262E+01 3,+1 93 3 -1 0.587892 -0.624168 3.184567 Rho 0.1416065E+00 |GRAD(Rho)| 0.1281541E-15 GRAD(Rho)x -0.2894820E-16 GRAD(Rho)y -0.6284307E-16 GRAD(Rho)z -0.1078713E-15 Laplacian 0.5835253E+00 (-1/4)Del**2(Rho)) -0.1458813E+00 Diamond 0.1109056E+01 Metallicity 0.4543167E+01 Ellipticity 0.5901616E-02 Gb(Abramov) 0.2077148E+00 Vb(Abramov) -0.2695482E+00 Hb(Abramov) -0.6183344E-01 Ex_ueg -0.5451248E-01 Ec_ueg -0.7908392E-02 Delta_ex -0.6184759E-01 Delta_ec 0.1512385E-01 Delta_et -0.1998925E+00 Pxc 0.6892991E+01 Qxc -0.4089409E+01 3,-1 94 3 -1 0.628447 0.813149 3.474381 Rho 0.8734922E-01 |GRAD(Rho)| 0.3171241E-12 GRAD(Rho)x -0.2091034E-12 GRAD(Rho)y -0.2322587E-12 GRAD(Rho)z 0.5384543E-13 Laplacian 0.3523144E+00 (-1/4)Del**2(Rho)) -0.8807859E-01 Diamond 0.3684093E+00 Metallicity 0.3363421E+01 Ellipticity 0.1759932E-01 Gb(Abramov) 0.1080933E+00 Vb(Abramov) -0.1281080E+00 Hb(Abramov) -0.2001470E-01 Ex_ueg -0.2862401E-01 Ec_ueg -0.4565314E-02 Delta_ex -0.3320271E-01 Delta_ec 0.9979408E-02 Delta_et -0.1204175E+00 Pxc 0.6269888E+01 Qxc -0.3327122E+01 3,-1 95 3 +1 2.497136 1.770814 0.048796 Rho 0.1270240E-01 |GRAD(Rho)| 0.1417760E-16 GRAD(Rho)x -0.8355683E-17 GRAD(Rho)y 0.3025841E-17 GRAD(Rho)z -0.1104677E-16 Laplacian 0.6342952E-01 (-1/4)Del**2(Rho)) -0.1585738E-01 Diamond 0.2699219E-02 Metallicity 0.7512734E+00 Ellipticity -0.1263768E+01 Gb(Abramov) 0.1255713E-01 Vb(Abramov) -0.9256870E-02 Hb(Abramov) 0.3300256E-02 Ex_ueg -0.2188935E-02 Ec_ueg -0.4920906E-03 Delta_ex -0.3152030E-02 Delta_ec 0.8000134E-03 Delta_et -0.6099922E-02 Pxc 0.4448235E+01 Qxc -0.3939972E+01 3,+1 96 3 -1 0.468266 -0.665411 0.003396 Rho 0.1602338E+00 |GRAD(Rho)| 0.1972409E-15 GRAD(Rho)x 0.1526557E-15 GRAD(Rho)y -0.1249001E-15 GRAD(Rho)z -0.4336809E-18 Laplacian 0.3754411E+00 (-1/4)Del**2(Rho)) -0.9386026E-01 Diamond 0.8435724E+00 Metallicity 0.8676179E+01 Ellipticity 0.3536776E-02 Gb(Abramov) 0.1982983E+00 Vb(Abramov) -0.3027362E+00 Hb(Abramov) -0.1044380E+00 Ex_ueg -0.6427727E-01 Ec_ueg -0.9101814E-02 Delta_ex -0.4116343E-01 Delta_ec 0.9694768E-02 Delta_et -0.1310224E+00 Pxc 0.7062028E+01 Qxc -0.4245943E+01 3,-1 97 3 -1 0.633483 -0.633706 -3.207852 Rho 0.1343062E+00 |GRAD(Rho)| 0.3330800E-15 GRAD(Rho)x 0.2357598E-15 GRAD(Rho)y -0.2075434E-15 GRAD(Rho)z 0.1108393E-15 Laplacian 0.5462835E+00 (-1/4)Del**2(Rho)) -0.1365709E+00 Diamond 0.9627944E+00 Metallicity 0.4443124E+01 Ellipticity 0.9095222E-02 Gb(Abramov) 0.1921808E+00 Vb(Abramov) -0.2477908E+00 Hb(Abramov) -0.5560994E-01 Ex_ueg -0.5079798E-01 Ec_ueg -0.7446586E-02 Delta_ex -0.5702847E-01 Delta_ec 0.1410372E-01 Delta_et -0.1844284E+00 Pxc 0.6821647E+01 Qxc -0.4043505E+01 3,-1 98 3 -1 1.515641 -1.861958 -0.848972 Rho 0.4655276E-01 |GRAD(Rho)| 0.9396995E-16 GRAD(Rho)x 0.3249102E-16 GRAD(Rho)y 0.1611671E-16 GRAD(Rho)z -0.8668874E-16 Laplacian 0.1810018E+00 (-1/4)Del**2(Rho)) -0.4525045E-01 Diamond 0.8469855E-01 Metallicity 0.2293538E+01 Ellipticity 0.2396098E-01 Gb(Abramov) 0.4746424E-01 Vb(Abramov) -0.4967803E-01 Hb(Abramov) -0.2213789E-02 Ex_ueg -0.1236836E-01 Ec_ueg -0.2225228E-02 Delta_ex -0.1470186E-01 Delta_ec 0.5517495E-02 Delta_et -0.5712721E-01 Pxc 0.5558246E+01 Qxc -0.2664590E+01 3,-1 99 3 +1 0.612848 1.610371 0.003504 Rho 0.6664429E-02 |GRAD(Rho)| 0.2067837E-13 GRAD(Rho)x 0.1423773E-13 GRAD(Rho)y 0.5771497E-14 GRAD(Rho)z -0.1384094E-13 Laplacian 0.2626576E-01 (-1/4)Del**2(Rho)) -0.6566440E-02 Diamond 0.5014206E-03 Metallicity 0.6191960E+00 Ellipticity -0.1350004E+01 Gb(Abramov) 0.5055279E-02 Vb(Abramov) -0.3544118E-02 Hb(Abramov) 0.1511161E-02 Ex_ueg -0.9262659E-03 Ec_ueg -0.2192285E-03 Delta_ex -0.1128653E-02 Delta_ec 0.3747397E-03 Delta_et -0.2393055E-02 Pxc 0.4225117E+01 Qxc -0.3011833E+01 3,+1 100 3 -1 0.787498 2.991441 -1.972910 Rho 0.1624826E+00 |GRAD(Rho)| 0.3411622E-13 GRAD(Rho)x -0.2936372E-13 GRAD(Rho)y -0.1522674E-13 GRAD(Rho)z 0.8356736E-14 Laplacian 0.6343990E+00 (-1/4)Del**2(Rho)) -0.1585998E+00 Diamond 0.1418267E+01 Metallicity 0.5255275E+01 Ellipticity 0.3782746E-01 Gb(Abramov) 0.2446474E+00 Vb(Abramov) -0.3306950E+00 Hb(Abramov) -0.8604763E-01 Ex_ueg -0.6548285E-01 Ec_ueg -0.9247311E-02 Delta_ex -0.6951551E-01 Delta_ec 0.1582572E-01 Delta_et -0.2130364E+00 Pxc 0.7081285E+01 Qxc -0.4392565E+01 3,-1 101 3 -1 1.676194 2.735861 0.903654 Rho 0.1474822E+00 |GRAD(Rho)| 0.2143861E-12 GRAD(Rho)x 0.2823532E-13 GRAD(Rho)y -0.2211769E-13 GRAD(Rho)z 0.2113645E-12 Laplacian 0.6138086E+00 (-1/4)Del**2(Rho)) -0.1534521E+00 Diamond 0.1216121E+01 Metallicity 0.4621820E+01 Ellipticity 0.9348698E-02 Gb(Abramov) 0.2205061E+00 Vb(Abramov) -0.2875601E+00 Hb(Abramov) -0.6705399E-01 Ex_ueg -0.5754903E-01 Ec_ueg -0.8282536E-02 Delta_ex -0.6561606E-01 Delta_ec 0.1558959E-01 Delta_et -0.2069234E+00 Pxc 0.6948238E+01 Qxc -0.4208965E+01 3,-1 102 3 +3 1.605057 -0.012258 -1.553616 Rho 0.4009268E-02 |GRAD(Rho)| 0.3077552E-17 GRAD(Rho)x 0.2237134E-17 GRAD(Rho)y 0.2097240E-17 GRAD(Rho)z 0.2610404E-18 Laplacian 0.1643587E-01 (-1/4)Del**2(Rho)) -0.4108967E-02 Diamond 0.1178413E-03 Metallicity 0.4242245E+00 Ellipticity -0.2205922E+00 Gb(Abramov) 0.3029832E-02 Vb(Abramov) -0.1950697E-02 Hb(Abramov) 0.1079135E-02 Ex_ueg -0.4704050E-03 Ec_ueg -0.1045299E-03 Delta_ex -0.5754222E-03 Delta_ec 0.1457739E-03 Delta_et -0.8938483E-03 Pxc 0.4500194E+01 Qxc -0.3947361E+01 3,+3 103 3 +1 1.488345 0.421057 -0.809863 Rho 0.6203077E-02 |GRAD(Rho)| 0.2073967E-16 GRAD(Rho)x -0.7260907E-17 GRAD(Rho)y 0.1777972E-16 GRAD(Rho)z -0.7829079E-17 Laplacian 0.2409237E-01 (-1/4)Del**2(Rho)) -0.6023092E-02 Diamond 0.4298571E-03 Metallicity 0.5989799E+00 Ellipticity -0.1368361E+01 Gb(Abramov) 0.4616680E-02 Vb(Abramov) -0.3210268E-02 Hb(Abramov) 0.1406412E-02 Ex_ueg -0.8417722E-03 Ec_ueg -0.1990479E-03 Delta_ex -0.1025955E-02 Delta_ec 0.3593988E-03 Delta_et -0.2238682E-02 Pxc 0.4228993E+01 Qxc -0.2854643E+01 3,+1 104 3 +1 2.162392 -0.059694 2.038451 Rho 0.4798487E-02 |GRAD(Rho)| 0.8323298E-17 GRAD(Rho)x -0.4364324E-17 GRAD(Rho)y -0.3615189E-17 GRAD(Rho)z 0.6095931E-17 Laplacian 0.1928987E-01 (-1/4)Del**2(Rho)) -0.4822468E-02 Diamond 0.4526256E-03 Metallicity 0.4876682E+00 Ellipticity -0.4829435E+01 Gb(Abramov) 0.3606939E-02 Vb(Abramov) -0.2391411E-02 Hb(Abramov) 0.1215529E-02 Ex_ueg -0.5977563E-03 Ec_ueg -0.1382512E-03 Delta_ex -0.9779826E-03 Delta_ec 0.6546782E-03 Delta_et -0.3492592E-02 Pxc 0.4323697E+01 Qxc -0.1493837E+01 3,+1 105 3 +1 2.434131 -1.142189 0.572660 Rho 0.2386982E-01 |GRAD(Rho)| 0.5263162E-16 GRAD(Rho)x 0.4690824E-16 GRAD(Rho)y -0.3873184E-17 GRAD(Rho)z 0.2355214E-16 Laplacian 0.9186978E-01 (-1/4)Del**2(Rho)) -0.2296745E-01 Diamond 0.1216051E-01 Metallicity 0.1484302E+01 Ellipticity -0.6751475E+01 Gb(Abramov) 0.2099340E-01 Vb(Abramov) -0.1901936E-01 Hb(Abramov) 0.1974043E-02 Ex_ueg -0.5075949E-02 Ec_ueg -0.1031981E-02 Delta_ex -0.5746109E-02 Delta_ec 0.1741725E-02 Delta_et -0.1515271E-01 Pxc 0.4918644E+01 Qxc -0.3299091E+01 3,+1 106 3 +3 1.664435 -0.003478 1.548438 Rho 0.3889639E-02 |GRAD(Rho)| 0.2327801E-17 GRAD(Rho)x -0.1683787E-17 GRAD(Rho)y -0.1468716E-17 GRAD(Rho)z 0.6529868E-18 Laplacian 0.1588716E-01 (-1/4)Del**2(Rho)) -0.3971789E-02 Diamond 0.1095372E-03 Metallicity 0.4172688E+00 Ellipticity -0.1814023E+00 Gb(Abramov) 0.2924077E-02 Vb(Abramov) -0.1876364E-02 Hb(Abramov) 0.1047712E-02 Ex_ueg -0.4517840E-03 Ec_ueg -0.9944693E-04 Delta_ex -0.5522305E-03 Delta_ec 0.1413968E-03 Delta_et -0.8599961E-03 Pxc 0.4542966E+01 Qxc -0.3905537E+01 3,+3 107 3 -1 0.759516 1.665349 -1.600456 Rho 0.3498697E-01 |GRAD(Rho)| 0.1635907E-13 GRAD(Rho)x 0.1181745E-13 GRAD(Rho)y 0.1084577E-13 GRAD(Rho)z -0.3215030E-14 Laplacian 0.1314359E+00 (-1/4)Del**2(Rho)) -0.3285896E-01 Diamond 0.3932429E-01 Metallicity 0.1962199E+01 Ellipticity 0.3333480E-01 Gb(Abramov) 0.3265195E-01 Vb(Abramov) -0.3244493E-01 Hb(Abramov) 0.2070154E-03 Ex_ueg -0.8451363E-02 Ec_ueg -0.1603595E-02 Delta_ex -0.9783694E-02 Delta_ec 0.3717479E-02 Delta_et -0.3561833E-01 Pxc 0.5270262E+01 Qxc -0.2631808E+01 3,-1 108 3 +1 0.676873 1.262613 2.303395 Rho 0.2569260E-01 |GRAD(Rho)| 0.3895742E-15 GRAD(Rho)x 0.2712741E-15 GRAD(Rho)y 0.2228368E-15 GRAD(Rho)z 0.1688849E-15 Laplacian 0.1011532E+00 (-1/4)Del**2(Rho)) -0.2528831E-01 Diamond 0.1498541E-01 Metallicity 0.1523983E+01 Ellipticity -0.8820993E+01 Gb(Abramov) 0.2328203E-01 Vb(Abramov) -0.2127575E-01 Hb(Abramov) 0.2006277E-02 Ex_ueg -0.5599240E-02 Ec_ueg -0.1123648E-02 Delta_ex -0.6468048E-02 Delta_ec 0.1949914E-02 Delta_et -0.1727787E-01 Pxc 0.4983090E+01 Qxc -0.3317095E+01 3,+1 109 3 +1 0.543125 1.050181 -2.479790 Rho 0.2341513E-01 |GRAD(Rho)| 0.2407007E-16 GRAD(Rho)x 0.1871174E-16 GRAD(Rho)y -0.4095348E-17 GRAD(Rho)z -0.1457625E-16 Laplacian 0.8944992E-01 (-1/4)Del**2(Rho)) -0.2236248E-01 Diamond 0.1056714E-01 Metallicity 0.1476366E+01 Ellipticity -0.3326602E+01 Gb(Abramov) 0.2041086E-01 Vb(Abramov) -0.1845923E-01 Hb(Abramov) 0.1951625E-02 Ex_ueg -0.4947439E-02 Ec_ueg -0.1009254E-02 Delta_ex -0.5452393E-02 Delta_ec 0.1491754E-02 Delta_et -0.1296490E-01 Pxc 0.4902075E+01 Qxc -0.3655020E+01 3,+1 110 3 -1 0.973805 -3.055240 -1.722430 Rho 0.2164221E+00 |GRAD(Rho)| 0.1235913E-13 GRAD(Rho)x 0.1146609E-13 GRAD(Rho)y -0.1935301E-14 GRAD(Rho)z 0.4187052E-14 Laplacian 0.8334591E+00 (-1/4)Del**2(Rho)) -0.2083648E+00 Diamond 0.2577310E+01 Metallicity 0.6450077E+01 Ellipticity 0.1026740E-01 Gb(Abramov) 0.3629047E+00 Vb(Abramov) -0.5174445E+00 Hb(Abramov) -0.1545399E+00 Ex_ueg -0.9596670E-01 Ec_ueg -0.1282449E-01 Delta_ex -0.9787507E-01 Delta_ec 0.1869265E-01 Delta_et -0.2565793E+00 Pxc 0.7483081E+01 Qxc -0.5236019E+01 3,-1 111 3 -1 0.966283 -3.049029 1.694209 Rho 0.2263319E+00 |GRAD(Rho)| 0.1373722E-12 GRAD(Rho)x 0.1271899E-12 GRAD(Rho)y 0.5188677E-13 GRAD(Rho)z -0.1266877E-14 Laplacian 0.8809127E+00 (-1/4)Del**2(Rho)) -0.2202282E+00 Diamond 0.2870298E+01 Metallicity 0.6575418E+01 Ellipticity 0.9031121E-02 Gb(Abramov) 0.3881675E+00 Vb(Abramov) -0.5561068E+00 Hb(Abramov) -0.1679393E+00 Ex_ueg -0.1018700E+00 Ec_ueg -0.1349940E-01 Delta_ex -0.1046301E+00 Delta_ec 0.1945773E-01 Delta_et -0.2674754E+00 Pxc 0.7546260E+01 Qxc -0.5377304E+01 3,-1 112 3 +1 2.162059 -0.097120 -1.985281 Rho 0.4968286E-02 |GRAD(Rho)| 0.2924230E-14 GRAD(Rho)x 0.1948235E-14 GRAD(Rho)y -0.1626778E-14 GRAD(Rho)z 0.1452272E-14 Laplacian 0.2015893E-01 (-1/4)Del**2(Rho)) -0.5039733E-02 Diamond 0.5001100E-03 Metallicity 0.4944890E+00 Ellipticity -0.6018095E+01 Gb(Abramov) 0.3775171E-02 Vb(Abramov) -0.2510608E-02 Hb(Abramov) 0.1264562E-02 Ex_ueg -0.6261242E-03 Ec_ueg -0.1455483E-03 Delta_ex -0.1032899E-02 Delta_ec 0.6916475E-03 Delta_et -0.3726051E-02 Pxc 0.4301832E+01 Qxc -0.1493389E+01 3,+1 113 3 +1 2.015644 0.099273 -2.120114 Rho 0.4968022E-02 |GRAD(Rho)| 0.4751210E-13 GRAD(Rho)x -0.8685101E-14 GRAD(Rho)y 0.2713918E-13 GRAD(Rho)z -0.3801886E-13 Laplacian 0.2018990E-01 (-1/4)Del**2(Rho)) -0.5047474E-02 Diamond 0.5005885E-03 Metallicity 0.4936868E+00 Ellipticity -0.5899316E+01 Gb(Abramov) 0.3780295E-02 Vb(Abramov) -0.2513115E-02 Hb(Abramov) 0.1267180E-02 Ex_ueg -0.6260798E-03 Ec_ueg -0.1455369E-03 Delta_ex -0.1034237E-02 Delta_ec 0.6922853E-03 Delta_et -0.3729585E-02 Pxc 0.4301863E+01 Qxc -0.1493947E+01 3,+1 114 3 -1 2.434645 -0.636720 -0.013724 Rho 0.2974584E-01 |GRAD(Rho)| 0.7772894E-16 GRAD(Rho)x -0.7120667E-16 GRAD(Rho)y -0.3116610E-16 GRAD(Rho)z 0.2683639E-18 Laplacian 0.1090505E+00 (-1/4)Del**2(Rho)) -0.2726261E-01 Diamond 0.2535739E-01 Metallicity 0.1804524E+01 Ellipticity 0.8916373E-01 Gb(Abramov) 0.2637442E-01 Vb(Abramov) -0.2548622E-01 Hb(Abramov) 0.8881983E-03 Ex_ueg -0.6806961E-02 Ec_ueg -0.1330505E-02 Delta_ex -0.7729795E-02 Delta_ec 0.2963409E-02 Delta_et -0.2716969E-01 Pxc 0.5116075E+01 Qxc -0.2608413E+01 3,-1 115 3 +1 1.763988 -2.265360 -0.180146 Rho 0.2872084E-01 |GRAD(Rho)| 0.5702614E-16 GRAD(Rho)x 0.4152445E-16 GRAD(Rho)y -0.3671516E-16 GRAD(Rho)z 0.1340514E-16 Laplacian 0.1134291E+00 (-1/4)Del**2(Rho)) -0.2835727E-01 Diamond 0.1754036E-01 Metallicity 0.1636379E+01 Ellipticity -0.3891922E+01 Gb(Abramov) 0.2663872E-01 Vb(Abramov) -0.2492017E-01 Hb(Abramov) 0.1718549E-02 Ex_ueg -0.6496028E-02 Ec_ueg -0.1277817E-02 Delta_ex -0.7284394E-02 Delta_ec 0.1857272E-02 Delta_et -0.1696220E-01 Pxc 0.5083691E+01 Qxc -0.3922094E+01 3,+1 116 3 -1 2.087730 0.000468 -2.049110 Rho 0.4972649E-02 |GRAD(Rho)| 0.2976038E-17 GRAD(Rho)x -0.2131306E-17 GRAD(Rho)y -0.2011754E-17 GRAD(Rho)z -0.5168936E-18 Laplacian 0.2001267E-01 (-1/4)Del**2(Rho)) -0.5003168E-02 Diamond 0.5319718E-03 Metallicity 0.4988321E+00 Ellipticity 0.9279213E+01 Gb(Abramov) 0.3751402E-02 Vb(Abramov) -0.2499636E-02 Hb(Abramov) 0.1251766E-02 Ex_ueg -0.6268574E-03 Ec_ueg -0.1457359E-03 Delta_ex -0.1058222E-02 Delta_ec 0.7449210E-03 Delta_et -0.3992471E-02 Pxc 0.4301323E+01 Qxc -0.1420583E+01 3,-1 117 3 -1 1.627536 2.754310 -0.856732 Rho 0.1276108E+00 |GRAD(Rho)| 0.1585190E-13 GRAD(Rho)x -0.9321800E-14 GRAD(Rho)y -0.1176452E-13 GRAD(Rho)z 0.5097349E-14 Laplacian 0.5335995E+00 (-1/4)Del**2(Rho)) -0.1333999E+00 Diamond 0.8928652E+00 Metallicity 0.4177116E+01 Ellipticity 0.1537721E-01 Gb(Abramov) 0.1818044E+00 Vb(Abramov) -0.2302089E+00 Hb(Abramov) -0.4840450E-01 Ex_ueg -0.4744984E-01 Ec_ueg -0.7026087E-02 Delta_ex -0.5512440E-01 Delta_ec 0.1413350E-01 Delta_et -0.1836614E+00 Pxc 0.6753380E+01 Qxc -0.3900265E+01 3,-1 118 3 -1 1.507342 -1.836042 0.838583 Rho 0.5527615E-01 |GRAD(Rho)| 0.8211581E-16 GRAD(Rho)x 0.4629247E-16 GRAD(Rho)y -0.6488018E-16 GRAD(Rho)z 0.1976297E-16 Laplacian 0.2111314E+00 (-1/4)Del**2(Rho)) -0.5278286E-01 Diamond 0.1217807E+00 Metallicity 0.2617921E+01 Ellipticity 0.1798833E-01 Gb(Abramov) 0.5821880E-01 Vb(Abramov) -0.6365474E-01 Hb(Abramov) -0.5435940E-02 Ex_ueg -0.1555137E-01 Ec_ueg -0.2708531E-02 Delta_ex -0.1779155E-01 Delta_ec 0.6226439E-02 Delta_et -0.6736230E-01 Pxc 0.5741628E+01 Qxc -0.2857419E+01 3,-1 119 3 -1 1.504315 -1.847267 2.325142 Rho 0.1345181E+00 |GRAD(Rho)| 0.2875629E-15 GRAD(Rho)x -0.1401399E-15 GRAD(Rho)y 0.1099110E-15 GRAD(Rho)z 0.2257715E-15 Laplacian 0.5576451E+00 (-1/4)Del**2(Rho)) -0.1394113E+00 Diamond 0.9978335E+00 Metallicity 0.4364051E+01 Ellipticity 0.2457595E-02 Gb(Abramov) 0.1943405E+00 Vb(Abramov) -0.2492698E+00 Hb(Abramov) -0.5492923E-01 Ex_ueg -0.5090488E-01 Ec_ueg -0.7459943E-02 Delta_ex -0.5838831E-01 Delta_ec 0.1466202E-01 Delta_et -0.1923120E+00 Pxc 0.6823763E+01 Qxc -0.3982283E+01 3,-1 120 3 -1 1.523739 1.995160 -2.699590 Rho 0.1781167E+00 |GRAD(Rho)| 0.3545500E-12 GRAD(Rho)x -0.1841168E-13 GRAD(Rho)y 0.2463011E-12 GRAD(Rho)z 0.2543668E-12 Laplacian 0.6884936E+00 (-1/4)Del**2(Rho)) -0.1721234E+00 Diamond 0.1713245E+01 Metallicity 0.5643577E+01 Ellipticity 0.4210868E-01 Gb(Abramov) 0.2766475E+00 Vb(Abramov) -0.3811717E+00 Hb(Abramov) -0.1045241E+00 Ex_ueg -0.7401584E-01 Ec_ueg -0.1026708E-01 Delta_ex -0.7715030E-01 Delta_ec 0.1669520E-01 Delta_et -0.2269432E+00 Pxc 0.7209048E+01 Qxc -0.4621107E+01 3,-1 121 3 -1 2.337614 1.815263 -1.533191 Rho 0.1380329E+00 |GRAD(Rho)| 0.1827343E-15 GRAD(Rho)x -0.6955157E-16 GRAD(Rho)y 0.1222167E-15 GRAD(Rho)z -0.1166940E-15 Laplacian 0.5820072E+00 (-1/4)Del**2(Rho)) -0.1455018E+00 Diamond 0.1071446E+01 Metallicity 0.4365050E+01 Ellipticity 0.1241966E-01 Gb(Abramov) 0.2028550E+00 Vb(Abramov) -0.2602081E+00 Hb(Abramov) -0.5735317E-01 Ex_ueg -0.5268600E-01 Ec_ueg -0.7681906E-02 Delta_ex -0.6129032E-01 Delta_ec 0.1515301E-01 Delta_et -0.1994476E+00 Pxc 0.6858455E+01 Qxc -0.4044761E+01 3,-1 122 3 -1 1.533983 1.978734 2.710592 Rho 0.1713675E+00 |GRAD(Rho)| 0.3211845E-15 GRAD(Rho)x -0.4035943E-16 GRAD(Rho)y 0.1949396E-15 GRAD(Rho)z -0.2520499E-15 Laplacian 0.6637295E+00 (-1/4)Del**2(Rho)) -0.1659324E+00 Diamond 0.1574602E+01 Metallicity 0.5489120E+01 Ellipticity 0.4101731E-01 Gb(Abramov) 0.2624254E+00 Vb(Abramov) -0.3589183E+00 Hb(Abramov) -0.9649298E-01 Ex_ueg -0.7030015E-01 Ec_ueg -0.9825094E-02 Delta_ex -0.7364033E-01 Delta_ec 0.1622567E-01 Delta_et -0.2195309E+00 Pxc 0.7155163E+01 Qxc -0.4538508E+01 3,-1 123 3 -1 2.362931 3.178369 2.223131 Rho 0.2293796E+00 |GRAD(Rho)| 0.4250659E-15 GRAD(Rho)x 0.2739779E-15 GRAD(Rho)y 0.3157197E-15 GRAD(Rho)z 0.7705967E-16 Laplacian 0.8305680E+00 (-1/4)Del**2(Rho)) -0.2076420E+00 Diamond 0.2792727E+01 Metallicity 0.7131201E+01 Ellipticity 0.4713271E-02 Gb(Abramov) 0.3852175E+00 Vb(Abramov) -0.5627930E+00 Hb(Abramov) -0.1775755E+00 Ex_ueg -0.1037030E+00 Ec_ueg -0.1370805E-01 Delta_ex -0.9923523E-01 Delta_ec 0.1870383E-01 Delta_et -0.2590726E+00 Pxc 0.7565122E+01 Qxc -0.5305609E+01 3,-1 124 3 -1 2.440981 1.797721 1.584086 Rho 0.1671491E+00 |GRAD(Rho)| 0.9717195E-16 GRAD(Rho)x -0.3878733E-16 GRAD(Rho)y -0.3019503E-16 GRAD(Rho)z -0.8382238E-16 Laplacian 0.6954563E+00 (-1/4)Del**2(Rho)) -0.1738641E+00 Diamond 0.1600145E+01 Metallicity 0.5025549E+01 Ellipticity 0.2583997E-01 Gb(Abramov) 0.2615365E+00 Vb(Abramov) -0.3492088E+00 Hb(Abramov) -0.8767238E-01 Ex_ueg -0.6800234E-01 Ec_ueg -0.9550196E-02 Delta_ex -0.7667210E-01 Delta_ec 0.1709457E-01 Delta_et -0.2305733E+00 Pxc 0.7120518E+01 Qxc -0.4485173E+01 3,-1 125 3 -1 -0.796054 -0.620356 -3.414137 Rho 0.2160251E+00 |GRAD(Rho)| 0.3692724E-12 GRAD(Rho)x -0.3654401E-12 GRAD(Rho)y -0.4612315E-13 GRAD(Rho)z -0.2623527E-13 Laplacian 0.8347813E+00 (-1/4)Del**2(Rho)) -0.2086953E+00 Diamond 0.2575782E+01 Metallicity 0.6420184E+01 Ellipticity 0.1074340E-01 Gb(Abramov) 0.3624406E+00 Vb(Abramov) -0.5161858E+00 Hb(Abramov) -0.1537453E+00 Ex_ueg -0.9573204E-01 Ec_ueg -0.1279756E-01 Delta_ex -0.9798427E-01 Delta_ec 0.1873297E-01 Delta_et -0.2571101E+00 Pxc 0.7480490E+01 Qxc -0.5230580E+01 3,-1 126 3 -1 2.739470 -1.999274 -1.532553 Rho 0.7224732E-01 |GRAD(Rho)| 0.6423317E-13 GRAD(Rho)x 0.4945060E-13 GRAD(Rho)y -0.1392285E-13 GRAD(Rho)z 0.3855765E-13 Laplacian 0.2923885E+00 (-1/4)Del**2(Rho)) -0.7309712E-01 Diamond 0.2417263E+00 Metallicity 0.2953628E+01 Ellipticity 0.1135672E-01 Gb(Abramov) 0.8471503E-01 Vb(Abramov) -0.9633294E-01 Hb(Abramov) -0.1161791E-01 Ex_ueg -0.2222358E-01 Ec_ueg -0.3677274E-02 Delta_ex -0.2636438E-01 Delta_ec 0.8557923E-02 Delta_et -0.9895695E-01 Pxc 0.6043494E+01 Qxc -0.3080699E+01 3,-1 127 3 -1 2.714123 -1.963637 1.501418 Rho 0.8485233E-01 |GRAD(Rho)| 0.1390200E-15 GRAD(Rho)x -0.9582992E-16 GRAD(Rho)y -0.9454074E-16 GRAD(Rho)z 0.3471649E-16 Laplacian 0.3412544E+00 (-1/4)Del**2(Rho)) -0.8531361E-01 Diamond 0.3439388E+00 Metallicity 0.3308576E+01 Ellipticity 0.1426434E-01 Gb(Abramov) 0.1039202E+00 Vb(Abramov) -0.1225267E+00 Hb(Abramov) -0.1860656E-01 Ex_ueg -0.2753828E-01 Ec_ueg -0.4416997E-02 Delta_ex -0.3193474E-01 Delta_ec 0.9702891E-02 Delta_et -0.1163351E+00 Pxc 0.6234616E+01 Qxc -0.3291260E+01 3,-1 128 3 +1 2.995877 -2.012469 -0.030424 Rho 0.1183692E-01 |GRAD(Rho)| 0.1024899E-16 GRAD(Rho)x -0.5805600E-17 GRAD(Rho)y -0.8099393E-17 GRAD(Rho)z 0.2395122E-17 Laplacian 0.5411747E-01 (-1/4)Del**2(Rho)) -0.1352937E-01 Diamond 0.1831900E-02 Metallicity 0.7828408E+00 Ellipticity -0.1201886E+01 Gb(Abramov) 0.1078480E-01 Vb(Abramov) -0.8040235E-02 Hb(Abramov) 0.2744566E-02 Ex_ueg -0.1992370E-02 Ec_ueg -0.4520458E-03 Delta_ex -0.2563337E-02 Delta_ec 0.5467625E-03 Delta_et -0.4206603E-02 Pxc 0.4407451E+01 Qxc -0.4688208E+01 3,+1 129 3 +3 2.735030 -1.864385 -0.039159 Rho 0.1153231E-01 |GRAD(Rho)| 0.1134975E-14 GRAD(Rho)x -0.1037863E-14 GRAD(Rho)y 0.4551516E-15 GRAD(Rho)z 0.6201201E-16 Laplacian 0.5176051E-01 (-1/4)Del**2(Rho)) -0.1294013E-01 Diamond 0.1103479E-02 Metallicity 0.7836849E+00 Ellipticity -0.6013746E+00 Gb(Abramov) 0.1031692E-01 Vb(Abramov) -0.7693704E-02 Hb(Abramov) 0.2623212E-02 Ex_ueg -0.1924302E-02 Ec_ueg -0.4380219E-03 Delta_ex -0.2255540E-02 Delta_ec 0.2036836E-03 Delta_et -0.1879699E-02 Pxc 0.4393164E+01 Qxc -0.1107375E+02 3,+3 130 3 -1 2.313521 -3.206014 -2.322936 Rho 0.2127759E+00 |GRAD(Rho)| 0.6560579E-15 GRAD(Rho)x -0.1836910E-15 GRAD(Rho)y 0.2256225E-15 GRAD(Rho)z 0.5880170E-15 Laplacian 0.7873277E+00 (-1/4)Del**2(Rho)) -0.1968319E+00 Diamond 0.2412549E+01 Metallicity 0.6637353E+01 Ellipticity 0.1709005E-01 Gb(Abramov) 0.3489618E+00 Vb(Abramov) -0.5010916E+00 Hb(Abramov) -0.1521299E+00 Ex_ueg -0.9381700E-01 Ec_ueg -0.1257753E-01 Delta_ex -0.9222227E-01 Delta_ec 0.1804633E-01 Delta_et -0.2486304E+00 Pxc 0.7459099E+01 Qxc -0.5110307E+01 3,-1 131 3 -1 2.318805 -3.163725 2.309552 Rho 0.2232721E+00 |GRAD(Rho)| 0.7062660E-15 GRAD(Rho)x -0.4252241E-15 GRAD(Rho)y 0.3316574E-15 GRAD(Rho)z -0.4560696E-15 Laplacian 0.8357223E+00 (-1/4)Del**2(Rho)) -0.2089306E+00 Diamond 0.2707425E+01 Metallicity 0.6775510E+01 Ellipticity 0.1975308E-01 Gb(Abramov) 0.3752222E+00 Vb(Abramov) -0.5415139E+00 Hb(Abramov) -0.1662917E+00 Ex_ueg -0.1000379E+00 Ec_ueg -0.1329043E-01 Delta_ex -0.9907970E-01 Delta_ec 0.1883194E-01 Delta_et -0.2599438E+00 Pxc 0.7527058E+01 Qxc -0.5261257E+01 3,-1 132 3 -1 4.603359 0.082157 -0.038766 Rho 0.2281313E+00 |GRAD(Rho)| 0.1266250E-14 GRAD(Rho)x 0.1178853E-14 GRAD(Rho)y 0.4591596E-15 GRAD(Rho)z 0.5353926E-16 Laplacian 0.8247037E+00 (-1/4)Del**2(Rho)) -0.2061759E+00 Diamond 0.2757811E+01 Metallicity 0.7116886E+01 Ellipticity 0.2154109E-02 Gb(Abramov) 0.3820057E+00 Vb(Abramov) -0.5578355E+00 Hb(Abramov) -0.1758298E+00 Ex_ueg -0.1029512E+00 Ec_ueg -0.1362252E-01 Delta_ex -0.9841194E-01 Delta_ec 0.1863108E-01 Delta_et -0.2581191E+00 Pxc 0.7557427E+01 Qxc -0.5282138E+01 3,-1 133 3 -1 3.620794 -0.824065 -0.755358 Rho 0.1856205E+00 |GRAD(Rho)| 0.1146824E-15 GRAD(Rho)x 0.8632960E-16 GRAD(Rho)y 0.7101524E-16 GRAD(Rho)z 0.2561428E-16 Laplacian 0.7178266E+00 (-1/4)Del**2(Rho)) -0.1794567E+00 Diamond 0.1875591E+01 Metallicity 0.5798340E+01 Ellipticity 0.4289091E-01 Gb(Abramov) 0.2930629E+00 Vb(Abramov) -0.4066691E+00 Hb(Abramov) -0.1136062E+00 Ex_ueg -0.7820235E-01 Ec_ueg -0.1076155E-01 Delta_ex -0.8126778E-01 Delta_ec 0.1719881E-01 Delta_et -0.2347225E+00 Pxc 0.7266831E+01 Qxc -0.4725199E+01 3,-1 134 3 -1 3.589959 -0.809693 0.694997 Rho 0.1759221E+00 |GRAD(Rho)| 0.4574699E-14 GRAD(Rho)x 0.2890310E-14 GRAD(Rho)y 0.1638961E-14 GRAD(Rho)z -0.3144484E-14 Laplacian 0.6766052E+00 (-1/4)Del**2(Rho)) -0.1691513E+00 Diamond 0.1661839E+01 Metallicity 0.5625293E+01 Ellipticity 0.3552413E-01 Gb(Abramov) 0.2713551E+00 Vb(Abramov) -0.3735590E+00 Hb(Abramov) -0.1022038E+00 Ex_ueg -0.7280238E-01 Ec_ueg -0.1012307E-01 Delta_ex -0.7560701E-01 Delta_ec 0.1650429E-01 Delta_et -0.2241753E+00 Pxc 0.7191730E+01 Qxc -0.4581051E+01 3,-1 135 3 -1 -2.321039 3.185603 -2.234909 Rho 0.2253606E+00 |GRAD(Rho)| 0.1775105E-14 GRAD(Rho)x -0.1696939E-14 GRAD(Rho)y -0.5072440E-15 GRAD(Rho)z -0.1187472E-15 Laplacian 0.8402266E+00 (-1/4)Del**2(Rho)) -0.2100566E+00 Diamond 0.2753286E+01 Metallicity 0.6844579E+01 Ellipticity 0.1385146E-01 Gb(Abramov) 0.3796626E+00 Vb(Abramov) -0.5492686E+00 Hb(Abramov) -0.1696060E+00 Ex_ueg -0.1012875E+00 Ec_ueg -0.1343301E-01 Delta_ex -0.9985793E-01 Delta_ec 0.1888911E-01 Delta_et -0.2608827E+00 Pxc 0.7540193E+01 Qxc -0.5286535E+01 3,-1 136 3 -1 -1.703767 2.750822 -0.874025 Rho 0.1248995E+00 |GRAD(Rho)| 0.2458981E-15 GRAD(Rho)x -0.1716089E-16 GRAD(Rho)y 0.4053561E-16 GRAD(Rho)z -0.2419262E-15 Laplacian 0.5133143E+00 (-1/4)Del**2(Rho)) -0.1283286E+00 Diamond 0.8421163E+00 Metallicity 0.4189519E+01 Ellipticity 0.1199194E-01 Gb(Abramov) 0.1751582E+00 Vb(Abramov) -0.2219879E+00 Hb(Abramov) -0.4682965E-01 Ex_ueg -0.4611044E-01 Ec_ueg -0.6856660E-02 Delta_ex -0.5282087E-01 Delta_ec 0.1378076E-01 Delta_et -0.1786358E+00 Pxc 0.6724913E+01 Qxc -0.3832943E+01 3,-1 137 3 -1 -2.225184 3.317178 2.239042 Rho 0.2309003E+00 |GRAD(Rho)| 0.3586540E-15 GRAD(Rho)x 0.3170207E-15 GRAD(Rho)y 0.1266890E-15 GRAD(Rho)z -0.1099110E-15 Laplacian 0.8524996E+00 (-1/4)Del**2(Rho)) -0.2131249E+00 Diamond 0.2876767E+01 Metallicity 0.7024681E+01 Ellipticity 0.3468549E-02 Gb(Abramov) 0.3916057E+00 Vb(Abramov) -0.5700865E+00 Hb(Abramov) -0.1784808E+00 Ex_ueg -0.1046208E+00 Ec_ueg -0.1381235E-01 Delta_ex -0.1019600E+00 Delta_ec 0.1903507E-01 Delta_et -0.2632175E+00 Pxc 0.7574436E+01 Qxc -0.5356429E+01 3,-1 138 3 -1 -1.648871 2.821155 0.885640 Rho 0.1479813E+00 |GRAD(Rho)| 0.1136666E-11 GRAD(Rho)x 0.1864689E-13 GRAD(Rho)y 0.2077066E-12 GRAD(Rho)z -0.1117372E-11 Laplacian 0.6151944E+00 (-1/4)Del**2(Rho)) -0.1537986E+00 Diamond 0.1221720E+01 Metallicity 0.4637446E+01 Ellipticity 0.1822714E-01 Gb(Abramov) 0.2214045E+00 Vb(Abramov) -0.2890104E+00 Hb(Abramov) -0.6760592E-01 Ex_ueg -0.5780883E-01 Ec_ueg -0.8314414E-02 Delta_ex -0.6579744E-01 Delta_ec 0.1557365E-01 Delta_et -0.2067238E+00 Pxc 0.6952845E+01 Qxc -0.4224922E+01 3,-1 139 3 -1 -0.921553 -0.708367 0.003717 Rho 0.2084658E+00 |GRAD(Rho)| 0.4906061E-13 GRAD(Rho)x 0.4045375E-13 GRAD(Rho)y 0.2775558E-13 GRAD(Rho)z -0.2561699E-15 Laplacian 0.6076944E+00 (-1/4)Del**2(Rho)) -0.1519236E+00 Diamond 0.1755644E+01 Metallicity 0.8310989E+01 Ellipticity 0.1878540E-02 Gb(Abramov) 0.3117216E+00 Vb(Abramov) -0.4715197E+00 Hb(Abramov) -0.1597980E+00 Ex_ueg -0.9129176E-01 Ec_ueg -0.1228655E-01 Delta_ex -0.7041454E-01 Delta_ec 0.1330699E-01 Delta_et -0.1805036E+00 Pxc 0.7430219E+01 Qxc -0.5291544E+01 3,-1 140 3 -1 -0.859287 -0.608949 3.387206 Rho 0.2274858E+00 |GRAD(Rho)| 0.1735838E-13 GRAD(Rho)x 0.1318151E-13 GRAD(Rho)y 0.1004302E-13 GRAD(Rho)z 0.5167091E-14 Laplacian 0.8898789E+00 (-1/4)Del**2(Rho)) -0.2224697E+00 Diamond 0.2914507E+01 Metallicity 0.6564565E+01 Ellipticity 0.9905247E-02 Gb(Abramov) 0.3917160E+00 Vb(Abramov) -0.5609622E+00 Hb(Abramov) -0.1692462E+00 Ex_ueg -0.1025630E+00 Ec_ueg -0.1357833E-01 Delta_ex -0.1058190E+00 Delta_ec 0.1959808E-01 Delta_et -0.2693416E+00 Pxc 0.7553431E+01 Qxc -0.5399459E+01 3,-1 141 3 -1 0.854696 2.979063 2.003631 Rho 0.1206143E+00 |GRAD(Rho)| 0.1350536E-15 GRAD(Rho)x -0.1332620E-15 GRAD(Rho)y -0.1690000E-16 GRAD(Rho)z 0.1396757E-16 Laplacian 0.4793071E+00 (-1/4)Del**2(Rho)) -0.1198268E+00 Diamond 0.7512491E+00 Metallicity 0.4233154E+01 Ellipticity 0.1196651E-01 Gb(Abramov) 0.1644254E+00 Vb(Abramov) -0.2090240E+00 Hb(Abramov) -0.4459860E-01 Ex_ueg -0.4401326E-01 Ec_ueg -0.6589899E-02 Delta_ex -0.4887567E-01 Delta_ec 0.1290763E-01 Delta_et -0.1662009E+00 Pxc 0.6678897E+01 Qxc -0.3786573E+01 3,-1 142 3 -1 1.537068 -1.876433 -2.334564 Rho 0.1246620E+00 |GRAD(Rho)| 0.1855819E-15 GRAD(Rho)x 0.7860466E-17 GRAD(Rho)y -0.1714530E-15 GRAD(Rho)z -0.7058834E-16 Laplacian 0.5064824E+00 (-1/4)Del**2(Rho)) -0.1266206E+00 Diamond 0.8188142E+00 Metallicity 0.4232584E+01 Ellipticity 0.2923670E-02 Gb(Abramov) 0.1737358E+00 Vb(Abramov) -0.2208510E+00 Hb(Abramov) -0.4711519E-01 Ex_ueg -0.4599357E-01 Ec_ueg -0.6841842E-02 Delta_ex -0.5196416E-01 Delta_ec 0.1337137E-01 Delta_et -0.1728721E+00 Pxc 0.6722396E+01 Qxc -0.3886227E+01 3,-1 143 3 -1 2.283465 3.210689 -2.185778 Rho 0.2282841E+00 |GRAD(Rho)| 0.1514653E-15 GRAD(Rho)x 0.6017322E-17 GRAD(Rho)y 0.1295622E-15 GRAD(Rho)z 0.7822519E-16 Laplacian 0.8303821E+00 (-1/4)Del**2(Rho)) -0.2075955E+00 Diamond 0.2775444E+01 Metallicity 0.7076112E+01 Ellipticity 0.1689257E-02 Gb(Abramov) 0.3832252E+00 Vb(Abramov) -0.5588549E+00 Hb(Abramov) -0.1756297E+00 Ex_ueg -0.1030432E+00 Ec_ueg -0.1363299E-01 Delta_ex -0.9908629E-01 Delta_ec 0.1871922E-01 Delta_et -0.2591989E+00 Pxc 0.7558372E+01 Qxc -0.5293291E+01 3,-1 144 3 -1 3.268784 0.564023 -0.673724 Rho 0.1379762E+00 |GRAD(Rho)| 0.2041791E-13 GRAD(Rho)x 0.1984366E-13 GRAD(Rho)y -0.1156898E-14 GRAD(Rho)z 0.4667070E-14 Laplacian 0.5803679E+00 (-1/4)Del**2(Rho)) -0.1450920E+00 Diamond 0.1065013E+01 Metallicity 0.4374383E+01 Ellipticity 0.1054502E-01 Gb(Abramov) 0.2025093E+00 Vb(Abramov) -0.2599266E+00 Hb(Abramov) -0.5741732E-01 Ex_ueg -0.5265715E-01 Ec_ueg -0.7678319E-02 Delta_ex -0.6107943E-01 Delta_ec 0.1505442E-01 Delta_et -0.1980209E+00 Pxc 0.6857901E+01 Qxc -0.4057241E+01 3,-1 145 3 -1 3.320648 0.565808 0.680479 Rho 0.1099007E+00 |GRAD(Rho)| 0.1400232E-13 GRAD(Rho)x -0.1313785E-13 GRAD(Rho)y 0.1753758E-14 GRAD(Rho)z 0.4515092E-14 Laplacian 0.4621291E+00 (-1/4)Del**2(Rho)) -0.1155323E+00 Diamond 0.6486248E+00 Metallicity 0.3759966E+01 Ellipticity 0.1192241E-01 Gb(Abramov) 0.1494211E+00 Vb(Abramov) -0.1833099E+00 Hb(Abramov) -0.3388881E-01 Ex_ueg -0.3887935E-01 Ec_ueg -0.5928608E-02 Delta_ex -0.4611241E-01 Delta_ec 0.1274082E-01 Delta_et -0.1613471E+00 Pxc 0.6557922E+01 Qxc -0.3619266E+01 3,-1 146 3 -1 2.114851 -3.041759 -0.810953 Rho 0.1284247E+00 |GRAD(Rho)| 0.5192961E-13 GRAD(Rho)x -0.1308941E-13 GRAD(Rho)y 0.7359381E-14 GRAD(Rho)z -0.4971108E-13 Laplacian 0.4870187E+00 (-1/4)Del**2(Rho)) -0.1217547E+00 Diamond 0.8200976E+00 Metallicity 0.4625392E+01 Ellipticity 0.4996270E-01 Gb(Abramov) 0.1750303E+00 Vb(Abramov) -0.2283059E+00 Hb(Abramov) -0.5327563E-01 Ex_ueg -0.4785381E-01 Ec_ueg -0.7077049E-02 Delta_ex -0.5037608E-01 Delta_ec 0.1285673E-01 Delta_et -0.1672030E+00 Pxc 0.6761832E+01 Qxc -0.3918265E+01 3,-1 147 3 -1 2.113349 -3.026065 0.791979 Rho 0.1337655E+00 |GRAD(Rho)| 0.6703366E-12 GRAD(Rho)x 0.1911937E-12 GRAD(Rho)y -0.2596929E-12 GRAD(Rho)z -0.5876698E-12 Laplacian 0.5116076E+00 (-1/4)Del**2(Rho)) -0.1279019E+00 Diamond 0.9153241E+00 Metallicity 0.4712481E+01 Ellipticity 0.3987983E-01 Gb(Abramov) 0.1857238E+00 Vb(Abramov) -0.2435457E+00 Hb(Abramov) -0.5782192E-01 Ex_ueg -0.5052549E-01 Ec_ueg -0.7412518E-02 Delta_ex -0.5356521E-01 Delta_ec 0.1359439E-01 Delta_et -0.1783898E+00 Pxc 0.6816238E+01 Qxc -0.3940243E+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 65 118 119 111 127 147 131 130 64 50 136 62 73 135 63 124 101 122 141 123 98 142 110 126 146 143 107 121 117 120 100 137 71 51 138 66 75 85 140 93 87 94 90 114 144 145 133 134 132 88 97 125 91 77 78 96 54 55 139 89 84 116 47 68 46 74 1 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 15 16 18 19 21 23 25 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 19 23 36 36 36 20 45 28 45 27 2.336199 1.955108 1.764889 2.153637 1.971773 1.770823 1.762919 2.382134 1.795885 1.987103 1.929538 2.072313 1.767132 2.563206 1.871699 1.922012 1.874509 2.009717 1.760787 2.388933 1.964167 1.755600 2.198129 1.964903 1.762524 2.526686 1.945352 1.977756 1.859142 1.893566 1.757858 2.424850 1.964040 1.919377 1.928501 1.914011 2.325435 1.762664 1.935384 2.011932 2.143089 1.771113 2.602350 1.945715 2.036204 1.842126 1.863631 1.762885 2.384913 1.934047 1.756307 1.763416 2.170609 2.019423 1.766066 3.216443 3.193817 1.643936 1.761917 1.769007 3.310619 1.004069 3.189835 1.733941 3.194811 2.337726 1.955487 1.764931 2.154105 1.972276 1.770838 1.762956 2.383814 1.796008 1.987427 1.930060 2.072775 1.767147 2.564716 1.872105 1.922484 1.874963 2.010196 1.760796 2.390638 1.964745 1.755672 2.198780 1.965601 1.762540 2.528278 1.945799 1.978175 1.859484 1.894005 1.757865 2.426368 1.964953 1.919965 1.929095 1.914522 2.326752 1.762711 1.935773 2.012495 2.143564 1.771130 2.604028 1.946186 2.036547 1.842405 1.864037 1.762908 2.386504 1.934600 1.756408 1.763452 2.171295 2.020108 1.766083 3.272471 3.241949 1.643943 1.761942 1.769028 3.311971 1.004140 3.209843 1.737782 3.197566 31 28 24 25 24 23 22 30 27 25 26 29 22 35 24 28 23 24 23 30 24 24 25 25 23 30 25 27 22 26 22 29 28 24 27 28 31 22 26 26 29 25 33 24 25 23 23 24 30 26 22 24 28 26 25 35 35 21 25 25 35 21 35 24 35 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 W O W W Mo W W O O W W Mo O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O H 2.3235 -0.8053 2.3398 2.4247 2.1677 2.4084 2.4118 -0.8733 -0.8526 2.3488 2.3825 2.1750 -1.0844 -0.9029 -1.0871 -1.0868 -0.8261 -0.9449 -0.8321 -0.9837 -0.7524 -0.9727 -0.8852 -0.9937 -0.9788 -0.8295 -0.9773 -0.7519 -0.9551 -0.8062 -0.9626 -0.9993 -0.9832 -0.9781 -0.9914 2.1861 -0.8798 -0.9928 -0.9753 -0.9958 -0.8794 -0.8749 -0.8726 -0.8698 0.2689 2.1402 1.9601 2.1298 2.1005 2.0079 2.1036 2.1118 1.9515 1.9535 2.1326 2.1101 2.0067 1.9329 1.9546 1.9325 1.9300 1.9536 1.9358 1.8721 1.9271 1.9661 1.9305 1.9508 1.9276 1.9278 1.9532 1.9284 1.9660 1.9412 1.9601 1.9403 1.9366 1.9391 1.9372 1.9387 0.8958 1.9498 1.9358 1.9382 1.9370 1.9502 1.9518 1.9509 1.9530 0.5728 6.1192 4.8172 6.1212 6.0940 6.1167 6.0987 6.1095 4.8902 4.8669 6.1112 6.1038 6.1156 5.1195 4.9158 5.1222 5.1244 4.8403 4.9845 4.9302 5.0281 4.7566 5.0124 4.9029 5.0376 5.0218 4.8445 5.0203 4.7561 4.9850 4.8182 4.9944 5.0329 5.0152 5.0129 5.0241 1.3725 4.8997 5.0262 5.0085 5.0295 4.8989 4.8915 4.8908 4.8850 0.1583 3.3882 0.0280 3.3798 3.3510 3.7077 3.3596 3.3373 0.0316 0.0321 3.3784 3.3740 3.7028 0.0320 0.0325 0.0325 0.0324 0.0321 0.0246 0.0299 0.0285 0.0297 0.0298 0.0315 0.0285 0.0293 0.0318 0.0286 0.0297 0.0289 0.0279 0.0279 0.0298 0.0289 0.0281 0.0285 10.5456 0.0303 0.0308 0.0286 0.0293 0.0304 0.0316 0.0309 0.0318 0.0000 14.0290 0.0000 14.0293 14.0298 0.0000 14.0298 14.0295 0.0000 0.0000 14.0290 14.0295 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 W O W W Mo W W O O W W Mo O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O H 2.474747 -1.089331 2.478077 2.491658 3.141151 2.494981 2.502064 -0.928200 -0.907799 2.476192 2.484122 3.141036 -1.131830 -0.996509 -1.132974 -1.090535 -0.894092 -1.229552 -0.682282 -1.000109 -1.044425 -0.989357 -0.865947 -1.000051 -0.986190 -0.899102 -0.998295 -1.044713 -1.056341 -1.091193 -1.066997 -0.988661 -1.000199 -1.098643 -1.003440 2.273000 -0.939586 -0.993763 -1.109771 -1.003683 -0.938269 -0.929274 -0.931591 -0.922125 0.027803 1.938971 -0.903483 1.924712 1.919538 2.345238 1.921838 1.943471 -0.851344 -0.818683 1.939430 1.922414 2.344851 -0.775915 -0.841271 -0.776375 -0.711523 -0.801296 -0.934280 -0.847169 -0.732743 -0.850336 -0.757994 -0.783291 -0.726940 -0.735826 -0.810078 -0.741863 -0.848955 -0.908683 -0.904144 -0.916514 -0.807789 -0.848947 -0.910710 -0.853178 1.764483 -0.866713 -0.823151 -0.906336 -0.845743 -0.861587 -0.849295 -0.849273 -0.845455 0.281935 2.027685 -0.887321 2.030854 2.029089 2.439514 2.030106 2.055651 -0.818454 -0.801582 2.021705 2.018771 2.436145 -0.843483 -0.771826 -0.835734 -0.796957 -0.803907 -1.020253 -0.853460 -0.832897 -0.856015 -0.838919 -0.830457 -0.819791 -0.836646 -0.818760 -0.837798 -0.856766 -0.919500 -0.888722 -0.933738 -0.856249 -0.868998 -0.970164 -0.883284 1.715122 -0.844580 -0.859069 -0.972643 -0.871371 -0.834647 -0.817454 -0.822596 -0.811589 0.310988 -21.67045318 -12.10598045 -1.58105839 24.87293809 37.79053028 58.06023876 -0.73120304 1.40036292 7.05030779 -39.19089320 -303.6545 356.6124 -17.9452 -350.1252 -79.8223 -394.9348 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:28 Nodes: 1 Procs: 1 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:40 Nodes: 1 Procs: 1 Jun10-2024 15:28:45 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:51 Nodes: 1 Procs: 1 Jun10-2024 15:28:57 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:38 Nodes: 1 Procs: 5 *** (NO TITLE) *** -8 -14.36251566 -14.49082120 -14.50568381 -14.50870751 -14.51006432 -14.51068265 -14.51118110 -14.51192358 -14.51262777 -14.51286047 -14.51312589 -14.51324548 -14.51333485 -14.51351986 -14.51354412 -14.51358838 GEOMETRY CONVERGED