ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr02-2024 10:54:58 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.60 0.02 0.66 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 Apr02-2024 10:54:58 Nodes: 1 Procs: 1 Apr02-2024 10:54:58 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr02-2024 10:54:59 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.74 0.03 0.81 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 Apr02-2024 10:54:58 Nodes: 1 Procs: 1 Apr02-2024 10:54:58 Nodes: 1 Procs: 1 0 Apr02-2024 10:54:59 Nodes: 1 Procs: 1 Apr02-2024 10:54:59 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr02-2024 10:55:00 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.44 0.04 0.51 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 Apr02-2024 10:54:58 Nodes: 1 Procs: 1 Apr02-2024 10:54:58 Nodes: 1 Procs: 1 0 Apr02-2024 10:54:59 Nodes: 1 Procs: 1 Apr02-2024 10:54:59 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr02-2024 10:55:00 Nodes: 1 Procs: 1 Apr02-2024 10:55:00 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr02-2024 10:55:01 Phosphorus (TZP, 1s frozen) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.34 0.02 1.41 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 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 Apr02-2024 10:54:58 Nodes: 1 Procs: 1 Apr02-2024 10:54:58 Nodes: 1 Procs: 1 0 Apr02-2024 10:54:59 Nodes: 1 Procs: 1 Apr02-2024 10:54:59 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr02-2024 10:55:00 Nodes: 1 Procs: 1 Apr02-2024 10:55:00 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr02-2024 10:55:01 Nodes: 1 Procs: 1 Apr02-2024 10:55:02 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr02-2024 10:55:04 Phosphorus (TZP, 1s frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2701.2297610000055 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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 Apr02-2024 10:55:02 1 1 Tungsten TZP 4d t21.Mo ADF 2019 Apr02-2024 10:54:59 1 1 Molybdenum TZP 3d t21.O ADF 2019 Apr02-2024 10:55:00 1 1 Oxygen TZP 1s t21.P ADF 2019 Apr02-2024 10:54:58 1 1 Phosphorus TZP 1s 1 1 -16.96349321 0.02067820 0.00100000 F 0.00680196 0.00066667 F 0.02067820 0.00680196 0.00874174 0.01000000 T 0.00352098 0.00666667 T Cartesian 2701.2297610000055 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273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -7.553 -7.547 -7.325 -7.315 -7.314 -7.310 -7.299 -7.292 -6.992 -6.982 -4.664 -4.415 -4.216 -3.862 -3.861 -3.535 -3.529 -3.519 -3.453 -3.387 A A A A A A A A A A A A A A A A A A A A 0.00000000070929 0.00057308982651 0.00035148345148 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 74 74 74 74 74 74 74 74 74 74 42 42 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 15 0.092141 -2.542002 2.551527 -0.092307 -2.542182 -2.551312 0.104479 2.541128 -2.552047 -0.104337 2.541280 2.551854 2.547924 -2.550980 0.101443 2.540977 2.546653 -0.094747 -2.540872 2.546770 0.094546 -2.548016 -2.550856 -0.101237 -2.547804 -0.095413 -2.546383 2.547814 -0.095379 2.546361 -2.565724 0.091631 2.553969 2.565695 0.091279 -2.553953 0.897643 -0.891108 0.898553 -0.897687 -0.891116 -0.898491 0.897846 0.907502 -0.897989 -0.897799 0.907612 0.897962 -3.024483 -1.179177 1.173328 3.024489 -1.179397 -1.173257 -3.022469 1.166844 -1.164747 3.022461 1.166809 1.164730 1.167307 -1.172877 -3.029164 1.172635 1.168208 3.019109 -1.172665 1.168170 -3.019196 -1.167391 -1.172724 3.029264 -1.165898 3.015938 -1.168692 -1.170814 -3.013980 1.172398 1.166065 3.015988 1.168562 1.170719 -3.013999 -1.172252 3.385719 -1.495928 1.490601 -3.385738 -1.495901 -1.490524 3.384777 1.503180 -1.500087 -3.384763 1.503447 1.500045 1.502732 -1.496553 3.381319 1.495174 1.498073 -3.390581 -1.495107 1.498292 3.390504 -1.502790 -1.496641 -3.381248 -1.492179 -3.381408 -1.494457 -1.498793 3.385016 1.502101 1.492037 -3.381384 1.494621 1.498881 3.384914 -1.502245 -0.194196 -3.743996 3.751802 0.193999 -3.744211 -3.751557 -0.190057 3.742077 -3.751765 0.190294 3.742327 3.751440 3.745740 -3.754465 -0.188252 3.741859 3.747774 0.194745 -3.741697 3.747946 -0.194975 -3.745875 -3.754305 0.188426 -3.751017 0.195582 -3.743921 -3.758577 -0.197594 3.747546 3.750995 0.195683 3.743922 3.758552 -0.198018 -3.747514 0.000000 0.010874 0.000012 1 3 -3 0.092141 -2.542002 2.551527 Rho 0.4361414E+07 3,-3 2 3 -3 -0.092307 -2.542182 -2.551312 Rho 0.4361414E+07 3,-3 3 3 -3 0.104479 2.541128 -2.552047 Rho 0.4361414E+07 3,-3 4 3 -3 -0.104337 2.541280 2.551854 Rho 0.4361414E+07 3,-3 5 3 -3 2.547924 -2.550980 0.101443 Rho 0.4361414E+07 3,-3 6 3 -3 2.540977 2.546653 -0.094747 Rho 0.4361414E+07 3,-3 7 3 -3 -2.540872 2.546770 0.094546 Rho 0.4361414E+07 3,-3 8 3 -3 -2.548016 -2.550856 -0.101237 Rho 0.4361414E+07 3,-3 9 3 -3 -2.547804 -0.095413 -2.546383 Rho 0.4361414E+07 3,-3 10 3 -3 2.547814 -0.095379 2.546361 Rho 0.4361414E+07 3,-3 11 3 -3 -2.565724 0.091631 2.553969 Rho 0.1240648E+06 3,-3 12 3 -3 2.565695 0.091279 -2.553953 Rho 0.1240648E+06 3,-3 13 3 -3 0.897643 -0.891108 0.898553 Rho 0.3187751E+03 3,-3 14 3 -3 -0.897687 -0.891116 -0.898491 Rho 0.3187751E+03 3,-3 15 3 -3 0.897846 0.907502 -0.897989 Rho 0.3187800E+03 3,-3 16 3 -3 -0.897799 0.907612 0.897962 Rho 0.3187800E+03 3,-3 17 3 -3 -3.024483 -1.179177 1.173328 Rho 0.3189482E+03 3,-3 18 3 -3 3.024489 -1.179397 -1.173257 Rho 0.3189482E+03 3,-3 19 3 -3 -3.022469 1.166844 -1.164747 Rho 0.3188749E+03 3,-3 20 3 -3 3.022461 1.166809 1.164730 Rho 0.3188749E+03 3,-3 21 3 -3 1.167307 -1.172877 -3.029164 Rho 0.3189466E+03 3,-3 22 3 -3 1.172635 1.168208 3.019109 Rho 0.3188734E+03 3,-3 23 3 -3 -1.172665 1.168170 -3.019196 Rho 0.3188734E+03 3,-3 24 3 -3 -1.167391 -1.172724 3.029264 Rho 0.3189466E+03 3,-3 25 3 -3 -1.165898 3.015938 -1.168692 Rho 0.3188744E+03 3,-3 26 3 -3 -1.170814 -3.013980 1.172398 Rho 0.3188775E+03 3,-3 27 3 -3 1.166065 3.015988 1.168562 Rho 0.3188744E+03 3,-3 28 3 -3 1.170719 -3.013999 -1.172252 Rho 0.3188775E+03 3,-3 29 3 -3 3.385719 -1.495928 1.490601 Rho 0.3189703E+03 3,-3 30 3 -3 -3.385738 -1.495901 -1.490524 Rho 0.3189703E+03 3,-3 31 3 -3 3.384777 1.503180 -1.500087 Rho 0.3190432E+03 3,-3 32 3 -3 -3.384763 1.503447 1.500045 Rho 0.3190433E+03 3,-3 33 3 -3 1.502732 -1.496553 3.381319 Rho 0.3189702E+03 3,-3 34 3 -3 1.495174 1.498073 -3.390581 Rho 0.3190405E+03 3,-3 35 3 -3 -1.495107 1.498292 3.390504 Rho 0.3190405E+03 3,-3 36 3 -3 -1.502790 -1.496641 -3.381248 Rho 0.3189702E+03 3,-3 37 3 -3 -1.492179 -3.381408 -1.494457 Rho 0.3189705E+03 3,-3 38 3 -3 -1.498793 3.385016 1.502101 Rho 0.3189768E+03 3,-3 39 3 -3 1.492037 -3.381384 1.494621 Rho 0.3189705E+03 3,-3 40 3 -3 1.498881 3.384914 -1.502245 Rho 0.3189768E+03 3,-3 41 3 -3 -0.194196 -3.743996 3.751802 Rho 0.3194075E+03 3,-3 42 3 -3 0.193999 -3.744211 -3.751557 Rho 0.3194075E+03 3,-3 43 3 -3 -0.190057 3.742077 -3.751765 Rho 0.3194081E+03 3,-3 44 3 -3 0.190294 3.742327 3.751440 Rho 0.3194081E+03 3,-3 45 3 -3 3.745740 -3.754465 -0.188252 Rho 0.3194081E+03 3,-3 46 3 -3 3.741859 3.747774 0.194745 Rho 0.3194077E+03 3,-3 47 3 -3 -3.741697 3.747946 -0.194975 Rho 0.3194077E+03 3,-3 48 3 -3 -3.745875 -3.754305 0.188426 Rho 0.3194081E+03 3,-3 49 3 -3 -3.751017 0.195582 -3.743921 Rho 0.3194083E+03 3,-3 50 3 -3 -3.758577 -0.197594 3.747546 Rho 0.3195561E+03 3,-3 51 3 -3 3.750995 0.195683 3.743922 Rho 0.3194083E+03 3,-3 52 3 -3 3.758552 -0.198018 -3.747514 Rho 0.3195561E+03 3,-3 53 3 -3 0.000000 0.010874 0.000012 Rho 0.2439499E+04 3,-3 54 3 -1 -3.191427 3.197532 -0.061838 Rho 0.2537242E+00 |GRAD(Rho)| 0.4971495E-12 GRAD(Rho)x 0.3520416E-12 GRAD(Rho)y -0.3388348E-12 GRAD(Rho)z 0.9173510E-13 Laplacian 0.9142653E+00 (-1/4)Del**2(Rho)) -0.2285663E+00 Diamond 0.3451441E+01 Metallicity 0.7664386E+01 Ellipticity 0.1056517E-02 Gb(Abramov) 0.4443477E+00 Vb(Abramov) -0.6601290E+00 Hb(Abramov) -0.2157813E+00 Ex_ueg -0.1186317E+00 Ec_ueg -0.1539298E-01 Delta_ex -0.1120537E+00 Delta_ec 0.1980964E-01 Delta_et -0.2745523E+00 Pxc 0.7706872E+01 Qxc -0.5656522E+01 3,-1 55 3 +1 -1.994896 -1.992996 -1.991224 Rho 0.1266198E-01 |GRAD(Rho)| 0.3508120E-14 GRAD(Rho)x 0.1874587E-14 GRAD(Rho)y 0.2112475E-14 GRAD(Rho)z 0.2080931E-14 Laplacian 0.5999059E-01 (-1/4)Del**2(Rho)) -0.1499765E-01 Diamond 0.2135565E-02 Metallicity 0.7901313E+00 Ellipticity -0.1154669E+01 Gb(Abramov) 0.1197345E-01 Vb(Abramov) -0.8949253E-02 Hb(Abramov) 0.3024197E-02 Ex_ueg -0.2179652E-02 Ec_ueg -0.4902138E-03 Delta_ex -0.2869350E-02 Delta_ec 0.5615618E-03 Delta_et -0.4428222E-02 Pxc 0.4446329E+01 Qxc -0.5109588E+01 3,+1 56 3 -1 -2.975088 -1.977464 -0.839989 Rho 0.1449897E+00 |GRAD(Rho)| 0.5044359E-14 GRAD(Rho)x 0.1877689E-14 GRAD(Rho)y -0.3197461E-14 GRAD(Rho)z 0.3419953E-14 Laplacian 0.5786821E+00 (-1/4)Del**2(Rho)) -0.1446705E+00 Diamond 0.1130179E+01 Metallicity 0.4765059E+01 Ellipticity 0.3106524E-01 Gb(Abramov) 0.2113409E+00 Vb(Abramov) -0.2780114E+00 Hb(Abramov) -0.6667042E-01 Ex_ueg -0.5625587E-01 Ec_ueg -0.8123556E-02 Delta_ex -0.6167489E-01 Delta_ec 0.1488763E-01 Delta_et -0.1974084E+00 Pxc 0.6925030E+01 Qxc -0.4142693E+01 3,-1 57 3 -1 -2.784845 -1.815769 0.576763 Rho 0.1426093E+00 |GRAD(Rho)| 0.4395722E-15 GRAD(Rho)x 0.4302927E-16 GRAD(Rho)y -0.3799993E-15 GRAD(Rho)z -0.2167320E-15 Laplacian 0.5988509E+00 (-1/4)Del**2(Rho)) -0.1497127E+00 Diamond 0.1145429E+01 Metallicity 0.4479273E+01 Ellipticity 0.1104848E-01 Gb(Abramov) 0.2115759E+00 Vb(Abramov) -0.2734390E+00 Hb(Abramov) -0.6186313E-01 Ex_ueg -0.5502781E-01 Ec_ueg -0.7972095E-02 Delta_ex -0.6355515E-01 Delta_ec 0.1544788E-01 Delta_et -0.2042925E+00 Pxc 0.6902553E+01 Qxc -0.4114166E+01 3,-1 58 3 +1 -0.551016 -0.528702 1.693472 Rho 0.8437325E-02 |GRAD(Rho)| 0.2765005E-15 GRAD(Rho)x 0.2326156E-15 GRAD(Rho)y -0.1187743E-15 GRAD(Rho)z -0.9074772E-16 Laplacian 0.3498568E-01 (-1/4)Del**2(Rho)) -0.8746421E-02 Diamond 0.9770538E-03 Metallicity 0.6887539E+00 Ellipticity -0.1445789E+01 Gb(Abramov) 0.6834969E-02 Vb(Abramov) -0.4923518E-02 Hb(Abramov) 0.1911452E-02 Ex_ueg -0.1268600E-02 Ec_ueg -0.2977075E-03 Delta_ex -0.1620551E-02 Delta_ec 0.5458145E-03 Delta_et -0.3668609E-02 Pxc 0.4261230E+01 Qxc -0.2969051E+01 3,+1 59 3 +3 -1.834891 -1.833329 -1.832492 Rho 0.1238470E-01 |GRAD(Rho)| 0.1735198E-16 GRAD(Rho)x 0.1689570E-16 GRAD(Rho)y 0.3235565E-17 GRAD(Rho)z 0.2271011E-17 Laplacian 0.5681936E-01 (-1/4)Del**2(Rho)) -0.1420484E-01 Diamond 0.1275824E-02 Metallicity 0.8040056E+00 Ellipticity -0.6974278E+00 Gb(Abramov) 0.1137335E-01 Vb(Abramov) -0.8541870E-02 Hb(Abramov) 0.2831485E-02 Ex_ueg -0.2116243E-02 Ec_ueg -0.4773569E-03 Delta_ex -0.2511059E-02 Delta_ec 0.1925437E-03 Delta_et -0.1866552E-02 Pxc 0.4433251E+01 Qxc -0.1304150E+02 3,+3 60 3 +1 -1.762359 -1.750928 1.767022 Rho 0.1228171E-01 |GRAD(Rho)| 0.9561327E-15 GRAD(Rho)x 0.4447427E-15 GRAD(Rho)y -0.7912330E-15 GRAD(Rho)z -0.3005727E-15 Laplacian 0.6211191E-01 (-1/4)Del**2(Rho)) -0.1552798E-01 Diamond 0.2568523E-02 Metallicity 0.7253314E+00 Ellipticity -0.1247763E+01 Gb(Abramov) 0.1222914E-01 Vb(Abramov) -0.8930303E-02 Hb(Abramov) 0.3298838E-02 Ex_ueg -0.2092812E-02 Ec_ueg -0.4725894E-03 Delta_ex -0.3071612E-02 Delta_ec 0.8058109E-03 Delta_et -0.6076895E-02 Pxc 0.4428395E+01 Qxc -0.3811827E+01 3,+1 61 3 +1 -2.112936 -1.182867 -1.174433 Rho 0.2533978E-01 |GRAD(Rho)| 0.4306241E-16 GRAD(Rho)x 0.4022745E-16 GRAD(Rho)y 0.9751448E-17 GRAD(Rho)z 0.1187573E-16 Laplacian 0.1021141E+00 (-1/4)Del**2(Rho)) -0.2552852E-01 Diamond 0.1489868E-01 Metallicity 0.1475250E+01 Ellipticity -0.6653478E+01 Gb(Abramov) 0.2329584E-01 Vb(Abramov) -0.2106316E-01 Hb(Abramov) 0.2232683E-02 Ex_ueg -0.5496956E-02 Ec_ueg -0.1105837E-02 Delta_ex -0.6511790E-02 Delta_ec 0.1978999E-02 Delta_et -0.1747197E-01 Pxc 0.4970856E+01 Qxc -0.3290446E+01 3,+1 62 3 +1 -1.691899 -0.532944 0.551061 Rho 0.8408122E-02 |GRAD(Rho)| 0.2509095E-16 GRAD(Rho)x -0.6051203E-17 GRAD(Rho)y -0.2219226E-16 GRAD(Rho)z -0.1002209E-16 Laplacian 0.3485451E-01 (-1/4)Del**2(Rho)) -0.8713629E-02 Diamond 0.9706859E-03 Metallicity 0.6873624E+00 Ellipticity -0.1446912E+01 Gb(Abramov) 0.6807323E-02 Vb(Abramov) -0.4901017E-02 Hb(Abramov) 0.1906306E-02 Ex_ueg -0.1262749E-02 Ec_ueg -0.2964032E-03 Delta_ex -0.1613959E-02 Delta_ec 0.5453236E-03 Delta_et -0.3660806E-02 Pxc 0.4260242E+01 Qxc -0.2959636E+01 3,+1 63 3 +1 -0.541691 -1.680402 0.540315 Rho 0.8594537E-02 |GRAD(Rho)| 0.1735476E-16 GRAD(Rho)x -0.8993796E-17 GRAD(Rho)y -0.1431824E-16 GRAD(Rho)z 0.3909904E-17 Laplacian 0.3584186E-01 (-1/4)Del**2(Rho)) -0.8960466E-02 Diamond 0.1015376E-02 Metallicity 0.6933087E+00 Ellipticity -0.1434926E+01 Gb(Abramov) 0.7009039E-02 Vb(Abramov) -0.5057612E-02 Hb(Abramov) 0.1951427E-02 Ex_ueg -0.1300215E-02 Ec_ueg -0.3047357E-03 Delta_ex -0.1662852E-02 Delta_ec 0.5502734E-03 Delta_et -0.3723166E-02 Pxc 0.4266696E+01 Qxc -0.3021866E+01 3,+1 64 3 +1 0.550951 -0.528817 -1.693412 Rho 0.8437943E-02 |GRAD(Rho)| 0.7794577E-17 GRAD(Rho)x 0.2981556E-17 GRAD(Rho)y 0.8131516E-18 GRAD(Rho)z -0.7155734E-17 Laplacian 0.3498896E-01 (-1/4)Del**2(Rho)) -0.8747240E-02 Diamond 0.9772294E-03 Metallicity 0.6887735E+00 Ellipticity -0.1445781E+01 Gb(Abramov) 0.6835638E-02 Vb(Abramov) -0.4924036E-02 Hb(Abramov) 0.1911602E-02 Ex_ueg -0.1268724E-02 Ec_ueg -0.2977351E-03 Delta_ex -0.1620726E-02 Delta_ec 0.5458547E-03 Delta_et -0.3668958E-02 Pxc 0.4261251E+01 Qxc -0.2969154E+01 3,+1 65 3 +1 -1.685106 0.545586 -0.540474 Rho 0.8738208E-02 |GRAD(Rho)| 0.1721668E-15 GRAD(Rho)x -0.1508667E-15 GRAD(Rho)y -0.6126250E-16 GRAD(Rho)z 0.5592450E-16 Laplacian 0.3636041E-01 (-1/4)Del**2(Rho)) -0.9090103E-02 Diamond 0.1046531E-02 Metallicity 0.7025679E+00 Ellipticity -0.1436670E+01 Gb(Abramov) 0.7124471E-02 Vb(Abramov) -0.5158839E-02 Hb(Abramov) 0.1965632E-02 Ex_ueg -0.1329275E-02 Ec_ueg -0.3111681E-03 Delta_ex -0.1690791E-02 Delta_ec 0.5526846E-03 Delta_et -0.3759912E-02 Pxc 0.4271887E+01 Qxc -0.3059233E+01 3,+1 66 3 +3 -1.110843 1.107610 -1.112064 Rho 0.5036946E-02 |GRAD(Rho)| 0.3552849E-14 GRAD(Rho)x 0.2524561E-14 GRAD(Rho)y -0.2235518E-14 GRAD(Rho)z 0.1118834E-14 Laplacian 0.2071161E-01 (-1/4)Del**2(Rho)) -0.5177902E-02 Diamond 0.1545269E-03 Metallicity 0.4924304E+00 Ellipticity -0.2380654E-01 Gb(Abramov) 0.3876894E-02 Vb(Abramov) -0.2575886E-02 Hb(Abramov) 0.1301008E-02 Ex_ueg -0.6376879E-03 Ec_ueg -0.1485031E-03 Delta_ex -0.7247826E-03 Delta_ec 0.1050671E-03 Delta_et -0.7928882E-03 Pxc 0.4294105E+01 Qxc -0.6898281E+01 3,+3 67 3 +3 -2.359263 0.003931 0.017798 Rho 0.4348136E-02 |GRAD(Rho)| 0.3190991E-15 GRAD(Rho)x 0.1489793E-15 GRAD(Rho)y 0.1992696E-15 GRAD(Rho)z 0.1998025E-15 Laplacian 0.1798670E-01 (-1/4)Del**2(Rho)) -0.4496674E-02 Diamond 0.1573540E-03 Metallicity 0.4437793E+00 Ellipticity -0.2968025E+00 Gb(Abramov) 0.3330371E-02 Vb(Abramov) -0.2164068E-02 Hb(Abramov) 0.1166303E-02 Ex_ueg -0.5241504E-03 Ec_ueg -0.1189692E-03 Delta_ex -0.6578542E-03 Delta_ec 0.1862777E-03 Delta_et -0.1125701E-02 Pxc 0.4405765E+01 Qxc -0.3531578E+01 3,+3 68 3 +3 -1.115322 -1.092864 1.114687 Rho 0.4871900E-02 |GRAD(Rho)| 0.1662845E-15 GRAD(Rho)x -0.1347276E-15 GRAD(Rho)y -0.8536440E-16 GRAD(Rho)z 0.4703111E-16 Laplacian 0.1996420E-01 (-1/4)Del**2(Rho)) -0.4991049E-02 Diamond 0.1445260E-03 Metallicity 0.4832723E+00 Ellipticity -0.3441023E-01 Gb(Abramov) 0.3729372E-02 Vb(Abramov) -0.2467695E-02 Hb(Abramov) 0.1261677E-02 Ex_ueg -0.6099808E-03 Ec_ueg -0.1414043E-03 Delta_ex -0.6943926E-03 Delta_ec 0.1050685E-03 Delta_et -0.7784540E-03 Pxc 0.4313736E+01 Qxc -0.6608952E+01 3,+3 69 3 -1 -1.699843 0.492352 1.694147 Rho 0.3581315E-01 |GRAD(Rho)| 0.4839078E-16 GRAD(Rho)x 0.1738673E-16 GRAD(Rho)y 0.6798710E-17 GRAD(Rho)z -0.4464467E-16 Laplacian 0.1488647E+00 (-1/4)Del**2(Rho)) -0.3721618E-01 Diamond 0.4909912E-01 Metallicity 0.1801187E+01 Ellipticity 0.7835055E-02 Gb(Abramov) 0.3598301E-01 Vb(Abramov) -0.3474983E-01 Hb(Abramov) 0.1233174E-02 Ex_ueg -0.8718500E-02 Ec_ueg -0.1647173E-02 Delta_ex -0.1135547E-01 Delta_ec 0.4584820E-02 Delta_et -0.4422428E-01 Pxc 0.5293006E+01 Qxc -0.2476754E+01 3,-1 70 3 +1 -1.757757 1.753933 -1.754862 Rho 0.1240022E-01 |GRAD(Rho)| 0.8695210E-12 GRAD(Rho)x 0.6895391E-12 GRAD(Rho)y 0.5095077E-12 GRAD(Rho)z 0.1449293E-12 Laplacian 0.6261974E-01 (-1/4)Del**2(Rho)) -0.1565494E-01 Diamond 0.2609523E-02 Metallicity 0.7310568E+00 Ellipticity -0.1243159E+01 Gb(Abramov) 0.1234406E-01 Vb(Abramov) -0.9033194E-02 Hb(Abramov) 0.3310870E-02 Ex_ueg -0.2119782E-02 Ec_ueg -0.4780761E-03 Delta_ex -0.3100629E-02 Delta_ec 0.8053145E-03 Delta_et -0.6092742E-02 Pxc 0.4433983E+01 Qxc -0.3850209E+01 3,+1 71 3 -1 -1.811141 0.577160 -2.781795 Rho 0.1444120E+00 |GRAD(Rho)| 0.4000519E-12 GRAD(Rho)x -0.2876804E-12 GRAD(Rho)y -0.2622361E-12 GRAD(Rho)z 0.9226984E-13 Laplacian 0.6097129E+00 (-1/4)Del**2(Rho)) -0.1524282E+00 Diamond 0.1183597E+01 Metallicity 0.4492555E+01 Ellipticity 0.8612352E-02 Gb(Abramov) 0.2157508E+00 Vb(Abramov) -0.2790735E+00 Hb(Abramov) -0.6332262E-01 Ex_ueg -0.5595723E-01 Ec_ueg -0.8086768E-02 Delta_ex -0.6490313E-01 Delta_ec 0.1567345E-01 Delta_et -0.2076462E+00 Pxc 0.6919604E+01 Qxc -0.4140961E+01 3,-1 72 3 +1 -2.109370 1.055613 1.315394 Rho 0.2449806E-01 |GRAD(Rho)| 0.6285980E-16 GRAD(Rho)x 0.6209288E-16 GRAD(Rho)y -0.8701851E-17 GRAD(Rho)z -0.4483939E-17 Laplacian 0.9778756E-01 (-1/4)Del**2(Rho)) -0.2444689E-01 Diamond 0.1293507E-01 Metallicity 0.1456182E+01 Ellipticity -0.4056790E+01 Gb(Abramov) 0.2223111E-01 Vb(Abramov) -0.2001534E-01 Hb(Abramov) 0.2215776E-02 Ex_ueg -0.5254853E-02 Ec_ueg -0.1063475E-02 Delta_ex -0.6104552E-02 Delta_ec 0.1758527E-02 Delta_et -0.1542151E-01 Pxc 0.4941208E+01 Qxc -0.3471401E+01 3,+1 73 3 +1 -1.324391 1.045801 2.110502 Rho 0.2435540E-01 |GRAD(Rho)| 0.2581481E-15 GRAD(Rho)x -0.2644350E-16 GRAD(Rho)y 0.2394021E-15 GRAD(Rho)z -0.9288608E-16 Laplacian 0.9683947E-01 (-1/4)Del**2(Rho)) -0.2420987E-01 Diamond 0.1250445E-01 Metallicity 0.1456195E+01 Ellipticity -0.3707343E+01 Gb(Abramov) 0.2201563E-01 Vb(Abramov) -0.1982139E-01 Hb(Abramov) 0.2194240E-02 Ex_ueg -0.5214094E-02 Ec_ueg -0.1056315E-02 Delta_ex -0.6013239E-02 Delta_ec 0.1700763E-02 Delta_et -0.1490276E-01 Pxc 0.4936118E+01 Qxc -0.3535613E+01 3,+1 74 3 -1 -1.987529 0.832880 2.973982 Rho 0.1299596E+00 |GRAD(Rho)| 0.3796327E-15 GRAD(Rho)x 0.1420034E-15 GRAD(Rho)y 0.3386234E-15 GRAD(Rho)z 0.9638557E-16 Laplacian 0.5145794E+00 (-1/4)Del**2(Rho)) -0.1286448E+00 Diamond 0.8714111E+00 Metallicity 0.4465203E+01 Ellipticity 0.3812583E-01 Gb(Abramov) 0.1815008E+00 Vb(Abramov) -0.2343567E+00 Hb(Abramov) -0.5285594E-01 Ex_ueg -0.4861788E-01 Ec_ueg -0.7173264E-02 Delta_ex -0.5328824E-01 Delta_ec 0.1338322E-01 Delta_et -0.1740864E+00 Pxc 0.6777652E+01 Qxc -0.3981720E+01 3,-1 75 3 +1 -0.539376 1.689637 -0.541184 Rho 0.8883898E-02 |GRAD(Rho)| 0.5442943E-17 GRAD(Rho)x 0.4948366E-17 GRAD(Rho)y -0.1910906E-17 GRAD(Rho)z -0.1219727E-17 Laplacian 0.3704079E-01 (-1/4)Del**2(Rho)) -0.9260197E-02 Diamond 0.1090942E-02 Metallicity 0.7089336E+00 Ellipticity -0.1441644E+01 Gb(Abramov) 0.7267609E-02 Vb(Abramov) -0.5275021E-02 Hb(Abramov) 0.1992588E-02 Ex_ueg -0.1358907E-02 Ec_ueg -0.3177003E-03 Delta_ex -0.1729808E-02 Delta_ec 0.5634483E-03 Delta_et -0.3849451E-02 Pxc 0.4277324E+01 Qxc -0.3070038E+01 3,+1 76 3 +1 -1.183310 2.118406 1.182027 Rho 0.2574601E-01 |GRAD(Rho)| 0.2535516E-16 GRAD(Rho)x -0.1654482E-17 GRAD(Rho)y -0.2141358E-16 GRAD(Rho)z -0.1347611E-16 Laplacian 0.1040493E+00 (-1/4)Del**2(Rho)) -0.2601232E-01 Diamond 0.1546431E-01 Metallicity 0.1486702E+01 Ellipticity -0.6555360E+01 Gb(Abramov) 0.2378697E-01 Vb(Abramov) -0.2156163E-01 Hb(Abramov) 0.2225346E-02 Ex_ueg -0.5614764E-02 Ec_ueg -0.1126347E-02 Delta_ex -0.6657464E-02 Delta_ec 0.2006830E-02 Delta_et -0.1779137E-01 Pxc 0.4984932E+01 Qxc -0.3317403E+01 3,+1 77 3 -1 -0.575069 1.806099 -2.784293 Rho 0.1421595E+00 |GRAD(Rho)| 0.4497336E-15 GRAD(Rho)x 0.3387454E-15 GRAD(Rho)y 0.2946455E-15 GRAD(Rho)z 0.2637999E-16 Laplacian 0.6007703E+00 (-1/4)Del**2(Rho)) -0.1501926E+00 Diamond 0.1145198E+01 Metallicity 0.4441516E+01 Ellipticity 0.9224807E-02 Gb(Abramov) 0.2113088E+00 Vb(Abramov) -0.2724251E+00 Hb(Abramov) -0.6111625E-01 Ex_ueg -0.5479651E-01 Ec_ueg -0.7943514E-02 Delta_ex -0.6371455E-01 Delta_ec 0.1551795E-01 Delta_et -0.2051408E+00 Pxc 0.6898271E+01 Qxc -0.4105863E+01 3,-1 78 3 +3 1.110882 1.107655 1.111981 Rho 0.5037142E-02 |GRAD(Rho)| 0.3026386E-15 GRAD(Rho)x -0.2544137E-15 GRAD(Rho)y -0.1274830E-15 GRAD(Rho)z -0.1030139E-15 Laplacian 0.2071268E-01 (-1/4)Del**2(Rho)) -0.5178169E-02 Diamond 0.1545422E-03 Metallicity 0.4924370E+00 Ellipticity -0.2359385E-01 Gb(Abramov) 0.3877100E-02 Vb(Abramov) -0.2576030E-02 Hb(Abramov) 0.1301069E-02 Ex_ueg -0.6377209E-03 Ec_ueg -0.1485115E-03 Delta_ex -0.7248268E-03 Delta_ec 0.1050710E-03 Delta_et -0.7929268E-03 Pxc 0.4294084E+01 Qxc -0.6898449E+01 3,+3 79 3 -1 -0.844140 1.974255 2.979885 Rho 0.1471989E+00 |GRAD(Rho)| 0.1034926E-14 GRAD(Rho)x 0.6814482E-15 GRAD(Rho)y 0.6373076E-15 GRAD(Rho)z -0.4478162E-15 Laplacian 0.5850483E+00 (-1/4)Del**2(Rho)) -0.1462621E+00 Diamond 0.1164570E+01 Metallicity 0.4833505E+01 Ellipticity 0.3494201E-01 Gb(Abramov) 0.2153345E+00 Vb(Abramov) -0.2844068E+00 Hb(Abramov) -0.6907238E-01 Ex_ueg -0.5740164E-01 Ec_ueg -0.8264442E-02 Delta_ex -0.6259488E-01 Delta_ec 0.1501404E-01 Delta_et -0.1995626E+00 Pxc 0.6945616E+01 Qxc -0.4169090E+01 3,-1 80 3 +1 -2.002123 1.990586 2.005669 Rho 0.1246983E-01 |GRAD(Rho)| 0.1376579E-16 GRAD(Rho)x 0.6329032E-18 GRAD(Rho)y -0.1145431E-16 GRAD(Rho)z 0.7608887E-17 Laplacian 0.5911997E-01 (-1/4)Del**2(Rho)) -0.1477999E-01 Diamond 0.2080520E-02 Metallicity 0.7815915E+00 Ellipticity -0.1160824E+01 Gb(Abramov) 0.1177865E-01 Vb(Abramov) -0.8777303E-02 Hb(Abramov) 0.3001345E-02 Ex_ueg -0.2135662E-02 Ec_ueg -0.4813012E-03 Delta_ex -0.2821268E-02 Delta_ec 0.5631736E-03 Delta_et -0.4416285E-02 Pxc 0.4437266E+01 Qxc -0.5009588E+01 3,+1 81 3 +1 1.172606 -2.107635 1.187369 Rho 0.2525240E-01 |GRAD(Rho)| 0.2501906E-16 GRAD(Rho)x -0.1657368E-16 GRAD(Rho)y 0.1755338E-16 GRAD(Rho)z -0.6568518E-17 Laplacian 0.1018296E+00 (-1/4)Del**2(Rho)) -0.2545739E-01 Diamond 0.1483444E-01 Metallicity 0.1470879E+01 Ellipticity -0.6809420E+01 Gb(Abramov) 0.2321238E-01 Vb(Abramov) -0.2096738E-01 Hb(Abramov) 0.2245007E-02 Ex_ueg -0.5471695E-02 Ec_ueg -0.1101430E-02 Delta_ex -0.6492878E-02 Delta_ec 0.1982588E-02 Delta_et -0.1748645E-01 Pxc 0.4967808E+01 Qxc -0.3274951E+01 3,+1 82 3 +3 0.016343 0.010331 -2.358462 Rho 0.4360519E-02 |GRAD(Rho)| 0.1491317E-14 GRAD(Rho)x 0.5577204E-15 GRAD(Rho)y 0.8068175E-15 GRAD(Rho)z 0.1123396E-14 Laplacian 0.1803408E-01 (-1/4)Del**2(Rho)) -0.4508521E-02 Diamond 0.1578229E-03 Metallicity 0.4447160E+00 Ellipticity -0.3035575E+00 Gb(Abramov) 0.3339849E-02 Vb(Abramov) -0.2171178E-02 Hb(Abramov) 0.1168672E-02 Ex_ueg -0.5261416E-03 Ec_ueg -0.1194980E-03 Delta_ex -0.6594382E-03 Delta_ec 0.1856648E-03 Delta_et -0.1124166E-02 Pxc 0.4402933E+01 Qxc -0.3551768E+01 3,+3 83 3 -1 0.062438 -3.193474 -3.201666 Rho 0.2539904E+00 |GRAD(Rho)| 0.3483737E-15 GRAD(Rho)x 0.4119968E-17 GRAD(Rho)y -0.3447763E-15 GRAD(Rho)z -0.4976488E-16 Laplacian 0.9123769E+00 (-1/4)Del**2(Rho)) -0.2280942E+00 Diamond 0.3451017E+01 Metallicity 0.7693687E+01 Ellipticity 0.1171303E-02 Gb(Abramov) 0.4445437E+00 Vb(Abramov) -0.6609932E+00 Hb(Abramov) -0.2164495E+00 Ex_ueg -0.1187977E+00 Ec_ueg -0.1541159E-01 Delta_ex -0.1118647E+00 Delta_ec 0.1978312E-01 Delta_et -0.2742883E+00 Pxc 0.7708339E+01 Qxc -0.5654550E+01 3,-1 84 3 -1 -0.836263 -2.969685 -1.977228 Rho 0.1416289E+00 |GRAD(Rho)| 0.3614655E-09 GRAD(Rho)x -0.2604653E-09 GRAD(Rho)y -0.1496652E-09 GRAD(Rho)z 0.2010359E-09 Laplacian 0.5656172E+00 (-1/4)Del**2(Rho)) -0.1414043E+00 Diamond 0.1073991E+01 Metallicity 0.4688247E+01 Ellipticity 0.2736132E-01 Gb(Abramov) 0.2047593E+00 Vb(Abramov) -0.2681142E+00 Hb(Abramov) -0.6335496E-01 Ex_ueg -0.5452400E-01 Ec_ueg -0.7909817E-02 Delta_ex -0.5993858E-01 Delta_ec 0.1463546E-01 Delta_et -0.1933923E+00 Pxc 0.6893206E+01 Qxc -0.4095435E+01 3,-1 85 3 -1 -0.578873 -1.807737 2.789008 Rho 0.1467832E+00 |GRAD(Rho)| 0.2503630E-15 GRAD(Rho)x 0.2022986E-15 GRAD(Rho)y 0.1407023E-15 GRAD(Rho)z -0.4426933E-16 Laplacian 0.6164491E+00 (-1/4)Del**2(Rho)) -0.1541123E+00 Diamond 0.1218694E+01 Metallicity 0.4565726E+01 Ellipticity 0.1163286E-01 Gb(Abramov) 0.2200139E+00 Vb(Abramov) -0.2859156E+00 Hb(Abramov) -0.6590166E-01 Ex_ueg -0.5718563E-01 Ec_ueg -0.8237912E-02 Delta_ex -0.6586557E-01 Delta_ec 0.1575363E-01 Delta_et -0.2091362E+00 Pxc 0.6941762E+01 Qxc -0.4180977E+01 3,-1 86 3 +3 -0.000037 -2.351742 0.000078 Rho 0.4369392E-02 |GRAD(Rho)| 0.1242315E-14 GRAD(Rho)x 0.5490523E-15 GRAD(Rho)y 0.9465646E-15 GRAD(Rho)z 0.5881350E-15 Laplacian 0.1811159E-01 (-1/4)Del**2(Rho)) -0.4527896E-02 Diamond 0.1590809E-03 Metallicity 0.4443157E+00 Ellipticity -0.2681678E+00 Gb(Abramov) 0.3353900E-02 Vb(Abramov) -0.2179904E-02 Hb(Abramov) 0.1173996E-02 Ex_ueg -0.5275695E-03 Ec_ueg -0.1198769E-03 Delta_ex -0.6627676E-03 Delta_ec 0.1867456E-03 Delta_et -0.1130928E-02 Pxc 0.4400927E+01 Qxc -0.3549040E+01 3,+3 87 3 -1 -0.062620 -3.193275 3.201897 Rho 0.2539893E+00 |GRAD(Rho)| 0.4329073E-15 GRAD(Rho)x 0.1554746E-15 GRAD(Rho)y 0.2866631E-15 GRAD(Rho)z -0.2847115E-15 Laplacian 0.9123693E+00 (-1/4)Del**2(Rho)) -0.2280923E+00 Diamond 0.3450974E+01 Metallicity 0.7693695E+01 Ellipticity 0.1172164E-02 Gb(Abramov) 0.4445404E+00 Vb(Abramov) -0.6609884E+00 Hb(Abramov) -0.2164480E+00 Ex_ueg -0.1187971E+00 Ec_ueg -0.1541151E-01 Delta_ex -0.1118636E+00 Delta_ec 0.1978301E-01 Delta_et -0.2742869E+00 Pxc 0.7708333E+01 Qxc -0.5654530E+01 3,-1 88 3 +1 0.541623 -1.680422 -0.540208 Rho 0.8594926E-02 |GRAD(Rho)| 0.1219121E-13 GRAD(Rho)x 0.3487045E-14 GRAD(Rho)y 0.5248257E-14 GRAD(Rho)z 0.1043656E-13 Laplacian 0.3584429E-01 (-1/4)Del**2(Rho)) -0.8961072E-02 Diamond 0.1015534E-02 Metallicity 0.6933142E+00 Ellipticity -0.1434948E+01 Gb(Abramov) 0.7009521E-02 Vb(Abramov) -0.5057970E-02 Hb(Abramov) 0.1951551E-02 Ex_ueg -0.1300293E-02 Ec_ueg -0.3047531E-03 Delta_ex -0.1662995E-02 Delta_ec 0.5503315E-03 Delta_et -0.3723588E-02 Pxc 0.4266710E+01 Qxc -0.3021807E+01 3,+1 89 3 -1 0.836102 -2.969584 1.977418 Rho 0.1415901E+00 |GRAD(Rho)| 0.2477639E-15 GRAD(Rho)x -0.1384255E-15 GRAD(Rho)y -0.1028840E-15 GRAD(Rho)z 0.1778769E-15 Laplacian 0.5654509E+00 (-1/4)Del**2(Rho)) -0.1413627E+00 Diamond 0.1073320E+01 Metallicity 0.4687481E+01 Ellipticity 0.2732391E-01 Gb(Abramov) 0.2046810E+00 Vb(Abramov) -0.2679993E+00 Hb(Abramov) -0.6331828E-01 Ex_ueg -0.5450405E-01 Ec_ueg -0.7907350E-02 Delta_ex -0.5991693E-01 Delta_ec 0.1463211E-01 Delta_et -0.1933400E+00 Pxc 0.6892834E+01 Qxc -0.4094893E+01 3,-1 90 3 +1 2.002168 1.990387 -2.005746 Rho 0.1246955E-01 |GRAD(Rho)| 0.6607247E-17 GRAD(Rho)x -0.5345053E-17 GRAD(Rho)y -0.1334252E-17 GRAD(Rho)z -0.3647725E-17 Laplacian 0.5911731E-01 (-1/4)Del**2(Rho)) -0.1477933E-01 Diamond 0.2080320E-02 Metallicity 0.7815980E+00 Ellipticity -0.1160833E+01 Gb(Abramov) 0.1177813E-01 Vb(Abramov) -0.8776939E-02 Hb(Abramov) 0.3001194E-02 Ex_ueg -0.2135599E-02 Ec_ueg -0.4812885E-03 Delta_ex -0.2821111E-02 Delta_ec 0.5631270E-03 Delta_et -0.4415920E-02 Pxc 0.4437253E+01 Qxc -0.5009725E+01 3,+1 91 3 +1 1.183254 2.118292 -1.182263 Rho 0.2574463E-01 |GRAD(Rho)| 0.2108942E-14 GRAD(Rho)x 0.1416383E-14 GRAD(Rho)y 0.1495485E-14 GRAD(Rho)z 0.4527902E-15 Laplacian 0.1040410E+00 (-1/4)Del**2(Rho)) -0.2601024E-01 Diamond 0.1546148E-01 Metallicity 0.1486688E+01 Ellipticity -0.6553197E+01 Gb(Abramov) 0.2378501E-01 Vb(Abramov) -0.2155979E-01 Hb(Abramov) 0.2225229E-02 Ex_ueg -0.5614364E-02 Ec_ueg -0.1126278E-02 Delta_ex -0.6656791E-02 Delta_ec 0.2006585E-02 Delta_et -0.1778897E-01 Pxc 0.4984884E+01 Qxc -0.3317474E+01 3,+1 92 3 +1 -0.540718 0.547794 -1.684928 Rho 0.8721260E-02 |GRAD(Rho)| 0.1222267E-14 GRAD(Rho)x -0.1006573E-14 GRAD(Rho)y -0.5128276E-15 GRAD(Rho)z -0.4666406E-15 Laplacian 0.3630705E-01 (-1/4)Del**2(Rho)) -0.9076762E-02 Diamond 0.1043861E-02 Metallicity 0.7013277E+00 Ellipticity -0.1437085E+01 Gb(Abramov) 0.7112139E-02 Vb(Abramov) -0.5147516E-02 Hb(Abramov) 0.1964623E-02 Ex_ueg -0.1325839E-02 Ec_ueg -0.3104089E-03 Delta_ex -0.1688209E-02 Delta_ec 0.5531560E-03 Delta_et -0.3760246E-02 Pxc 0.4271265E+01 Qxc -0.3051957E+01 3,+1 93 3 +1 1.757787 1.753959 1.754788 Rho 0.1240057E-01 |GRAD(Rho)| 0.3001810E-16 GRAD(Rho)x 0.2543223E-16 GRAD(Rho)y -0.1522551E-16 GRAD(Rho)z -0.4740446E-17 Laplacian 0.6262236E-01 (-1/4)Del**2(Rho)) -0.1565559E-01 Diamond 0.2609734E-02 Metallicity 0.7310604E+00 Ellipticity -0.1243142E+01 Gb(Abramov) 0.1234459E-01 Vb(Abramov) -0.9033591E-02 Hb(Abramov) 0.3311000E-02 Ex_ueg -0.2119861E-02 Ec_ueg -0.4780923E-03 Delta_ex -0.3100782E-02 Delta_ec 0.8053492E-03 Delta_et -0.6093045E-02 Pxc 0.4434000E+01 Qxc -0.3850233E+01 3,+1 94 3 +1 0.057616 2.902824 -0.057764 Rho 0.5062748E-02 |GRAD(Rho)| 0.3312692E-17 GRAD(Rho)x -0.1498313E-17 GRAD(Rho)y 0.1874284E-18 GRAD(Rho)z -0.2948535E-17 Laplacian 0.2064987E-01 (-1/4)Del**2(Rho)) -0.5162468E-02 Diamond 0.5349684E-03 Metallicity 0.4981265E+00 Ellipticity -0.1508841E+02 Gb(Abramov) 0.3870239E-02 Vb(Abramov) -0.2578010E-02 Hb(Abramov) 0.1292229E-02 Ex_ueg -0.6420470E-03 Ec_ueg -0.1496141E-03 Delta_ex -0.1070510E-02 Delta_ec 0.7240628E-03 Delta_et -0.3917221E-02 Pxc 0.4291353E+01 Qxc -0.1478476E+01 3,+1 95 3 -1 1.804277 2.780255 0.577780 Rho 0.1448929E+00 |GRAD(Rho)| 0.7811501E-15 GRAD(Rho)x 0.4923362E-15 GRAD(Rho)y -0.1940383E-15 GRAD(Rho)z -0.5745865E-15 Laplacian 0.6119534E+00 (-1/4)Del**2(Rho)) -0.1529883E+00 Diamond 0.1191660E+01 Metallicity 0.4500977E+01 Ellipticity 0.8931418E-02 Gb(Abramov) 0.2167584E+00 Vb(Abramov) -0.2805285E+00 Hb(Abramov) -0.6377006E-01 Ex_ueg -0.5620582E-01 Ec_ueg -0.8117393E-02 Delta_ex -0.6518374E-01 Delta_ec 0.1569884E-01 Delta_et -0.2080415E+00 Pxc 0.6924122E+01 Qxc -0.4152137E+01 3,-1 96 3 +3 0.000081 2.362767 -0.000058 Rho 0.4504160E-02 |GRAD(Rho)| 0.1721853E-17 GRAD(Rho)x 0.1156759E-17 GRAD(Rho)y -0.8109632E-18 GRAD(Rho)z -0.9843908E-18 Laplacian 0.1865409E-01 (-1/4)Del**2(Rho)) -0.4663523E-02 Diamond 0.1712140E-03 Metallicity 0.4537974E+00 Ellipticity -0.2870073E+00 Gb(Abramov) 0.3461731E-02 Vb(Abramov) -0.2259939E-02 Hb(Abramov) 0.1201792E-02 Ex_ueg -0.5493765E-03 Ec_ueg -0.1256376E-03 Delta_ex -0.6883493E-03 Delta_ec 0.1932567E-03 Delta_et -0.1178078E-02 Pxc 0.4372709E+01 Qxc -0.3561840E+01 3,+3 97 3 -1 2.976669 0.836304 -1.984659 Rho 0.1340914E+00 |GRAD(Rho)| 0.1720023E-14 GRAD(Rho)x -0.1099903E-14 GRAD(Rho)y -0.1054143E-14 GRAD(Rho)z -0.7984200E-15 Laplacian 0.5315142E+00 (-1/4)Del**2(Rho)) -0.1328786E+00 Diamond 0.9340244E+00 Metallicity 0.4554423E+01 Ellipticity 0.4353143E-01 Gb(Abramov) 0.1894499E+00 Vb(Abramov) -0.2460213E+00 Hb(Abramov) -0.5657134E-01 Ex_ueg -0.5068971E-01 Ec_ueg -0.7433053E-02 Delta_ex -0.5545422E-01 Delta_ec 0.1370830E-01 Delta_et -0.1791748E+00 Pxc 0.6819501E+01 Qxc -0.4045304E+01 3,-1 98 3 +3 2.359312 0.003813 -0.017785 Rho 0.4347898E-02 |GRAD(Rho)| 0.2056563E-17 GRAD(Rho)x -0.1401644E-17 GRAD(Rho)y 0.9400684E-19 GRAD(Rho)z 0.1502001E-17 Laplacian 0.1798566E-01 (-1/4)Del**2(Rho)) -0.4496416E-02 Diamond 0.1573446E-03 Metallicity 0.4437643E+00 Ellipticity -0.2967004E+00 Gb(Abramov) 0.3330168E-02 Vb(Abramov) -0.2163921E-02 Hb(Abramov) 0.1166247E-02 Ex_ueg -0.5241121E-03 Ec_ueg -0.1189590E-03 Delta_ex -0.6578200E-03 Delta_ec 0.1862896E-03 Delta_et -0.1125730E-02 Pxc 0.4405820E+01 Qxc -0.3531168E+01 3,+3 99 3 +1 2.910443 0.093178 -0.106091 Rho 0.4909280E-02 |GRAD(Rho)| 0.1466091E-16 GRAD(Rho)x -0.2629855E-18 GRAD(Rho)y 0.8345881E-17 GRAD(Rho)z -0.1205070E-16 Laplacian 0.2021254E-01 (-1/4)Del**2(Rho)) -0.5053136E-02 Diamond 0.4839673E-03 Metallicity 0.4834540E+00 Ellipticity -0.4154904E+01 Gb(Abramov) 0.3775917E-02 Vb(Abramov) -0.2498698E-02 Hb(Abramov) 0.1277219E-02 Ex_ueg -0.6162289E-03 Ec_ueg -0.1430108E-03 Delta_ex -0.1024311E-02 Delta_ec 0.6773675E-03 Delta_et -0.3641933E-02 Pxc 0.4308967E+01 Qxc -0.1512194E+01 3,+1 100 3 +1 2.109389 1.055297 -1.315543 Rho 0.2449956E-01 |GRAD(Rho)| 0.9244298E-17 GRAD(Rho)x 0.4389097E-18 GRAD(Rho)y -0.9232925E-17 GRAD(Rho)z 0.1322620E-18 Laplacian 0.9779384E-01 (-1/4)Del**2(Rho)) -0.2444846E-01 Diamond 0.1293552E-01 Metallicity 0.1456237E+01 Ellipticity -0.4054211E+01 Gb(Abramov) 0.2223276E-01 Vb(Abramov) -0.2001707E-01 Hb(Abramov) 0.2215695E-02 Ex_ueg -0.5255282E-02 Ec_ueg -0.1063551E-02 Delta_ex -0.6104879E-02 Delta_ec 0.1758347E-02 Delta_et -0.1542024E-01 Pxc 0.4941261E+01 Qxc -0.3471941E+01 3,+1 101 3 -1 2.780987 1.807644 0.575566 Rho 0.1433889E+00 |GRAD(Rho)| 0.2942323E-15 GRAD(Rho)x -0.9835069E-16 GRAD(Rho)y -0.1500400E-15 GRAD(Rho)z 0.2332119E-15 Laplacian 0.6053764E+00 (-1/4)Del**2(Rho)) -0.1513441E+00 Diamond 0.1165399E+01 Metallicity 0.4471434E+01 Ellipticity 0.8907262E-02 Gb(Abramov) 0.2136836E+00 Vb(Abramov) -0.2760231E+00 Hb(Abramov) -0.6233950E-01 Ex_ueg -0.5542926E-01 Ec_ueg -0.8021660E-02 Delta_ex -0.6433196E-01 Delta_ec 0.1559315E-01 Delta_et -0.2063754E+00 Pxc 0.6909949E+01 Qxc -0.4125654E+01 3,-1 102 3 +1 0.539483 1.689660 0.541105 Rho 0.8883512E-02 |GRAD(Rho)| 0.4117069E-12 GRAD(Rho)x -0.3547178E-12 GRAD(Rho)y 0.1774822E-12 GRAD(Rho)z -0.1103535E-12 Laplacian 0.3703868E-01 (-1/4)Del**2(Rho)) -0.9259671E-02 Diamond 0.1090793E-02 Metallicity 0.7089226E+00 Ellipticity -0.1441619E+01 Gb(Abramov) 0.7267179E-02 Vb(Abramov) -0.5274687E-02 Hb(Abramov) 0.1992492E-02 Ex_ueg -0.1358829E-02 Ec_ueg -0.3176830E-03 Delta_ex -0.1729681E-02 Delta_ec 0.5633995E-03 Delta_et -0.3849086E-02 Pxc 0.4277310E+01 Qxc -0.3070080E+01 3,+1 103 3 -1 2.971226 1.979685 -0.841359 Rho 0.1425036E+00 |GRAD(Rho)| 0.1426680E-15 GRAD(Rho)x 0.3137410E-16 GRAD(Rho)y 0.2835189E-16 GRAD(Rho)z 0.1362571E-15 Laplacian 0.5659065E+00 (-1/4)Del**2(Rho)) -0.1414766E+00 Diamond 0.1084403E+01 Metallicity 0.4734184E+01 Ellipticity 0.3007631E-01 Gb(Abramov) 0.2059471E+00 Vb(Abramov) -0.2704177E+00 Hb(Abramov) -0.6447052E-01 Ex_ueg -0.5497346E-01 Ec_ueg -0.7965380E-02 Delta_ex -0.6007942E-01 Delta_ec 0.1465688E-01 Delta_et -0.1939302E+00 Pxc 0.6901549E+01 Qxc -0.4099058E+01 3,-1 104 3 +1 1.685111 0.545547 0.540469 Rho 0.8738535E-02 |GRAD(Rho)| 0.5749843E-15 GRAD(Rho)x -0.2597274E-15 GRAD(Rho)y -0.4516041E-15 GRAD(Rho)z 0.2433153E-15 Laplacian 0.3636216E-01 (-1/4)Del**2(Rho)) -0.9090541E-02 Diamond 0.1046643E-02 Metallicity 0.7025780E+00 Ellipticity -0.1436682E+01 Gb(Abramov) 0.7124830E-02 Vb(Abramov) -0.5159118E-02 Hb(Abramov) 0.1965711E-02 Ex_ueg -0.1329342E-02 Ec_ueg -0.3111828E-03 Delta_ex -0.1690892E-02 Delta_ec 0.5527171E-03 Delta_et -0.3760166E-02 Pxc 0.4271899E+01 Qxc -0.3059235E+01 3,+1 105 3 -1 -3.199741 0.061823 -3.195233 Rho 0.2541671E+00 |GRAD(Rho)| 0.4264191E-14 GRAD(Rho)x 0.2974617E-14 GRAD(Rho)y -0.8088148E-15 GRAD(Rho)z 0.2946319E-14 Laplacian 0.9138180E+00 (-1/4)Del**2(Rho)) -0.2284545E+00 Diamond 0.3457691E+01 Metallicity 0.7690463E+01 Ellipticity 0.8228576E-03 Gb(Abramov) 0.4451232E+00 Vb(Abramov) -0.6617918E+00 Hb(Abramov) -0.2166686E+00 Ex_ueg -0.1189080E+00 Ec_ueg -0.1542394E-01 Delta_ex -0.1120536E+00 Delta_ec 0.1979543E-01 Delta_et -0.2743921E+00 Pxc 0.7709312E+01 Qxc -0.5660580E+01 3,-1 106 3 -1 -1.822998 -0.574942 2.786363 Rho 0.1300773E+00 |GRAD(Rho)| 0.2245243E-13 GRAD(Rho)x 0.6980229E-15 GRAD(Rho)y -0.2198483E-13 GRAD(Rho)z -0.4504626E-14 Laplacian 0.5476236E+00 (-1/4)Del**2(Rho)) -0.1369059E+00 Diamond 0.9255174E+00 Metallicity 0.4202103E+01 Ellipticity 0.9055632E-02 Gb(Abramov) 0.1871527E+00 Vb(Abramov) -0.2373996E+00 Hb(Abramov) -0.5024682E-01 Ex_ueg -0.4867661E-01 Ec_ueg -0.7180650E-02 Delta_ex -0.5668814E-01 Delta_ec 0.1417800E-01 Delta_et -0.1843355E+00 Pxc 0.6778859E+01 Qxc -0.3998318E+01 3,-1 107 3 +1 -2.910455 0.093404 0.106206 Rho 0.4909763E-02 |GRAD(Rho)| 0.2320288E-17 GRAD(Rho)x 0.1940203E-17 GRAD(Rho)y -0.6685243E-18 GRAD(Rho)z 0.1082786E-17 Laplacian 0.2021468E-01 (-1/4)Del**2(Rho)) -0.5053671E-02 Diamond 0.4840542E-03 Metallicity 0.4834821E+00 Ellipticity -0.4153087E+01 Gb(Abramov) 0.3776341E-02 Vb(Abramov) -0.2499010E-02 Hb(Abramov) 0.1277330E-02 Ex_ueg -0.6163098E-03 Ec_ueg -0.1430316E-03 Delta_ex -0.1024411E-02 Delta_ec 0.6773911E-03 Delta_et -0.3642186E-02 Pxc 0.4308907E+01 Qxc -0.1512289E+01 3,+1 108 3 -1 -2.780943 1.807715 -0.575671 Rho 0.1434014E+00 |GRAD(Rho)| 0.5961410E-14 GRAD(Rho)x 0.2443798E-14 GRAD(Rho)y -0.5220352E-14 GRAD(Rho)z -0.1521244E-14 Laplacian 0.6054276E+00 (-1/4)Del**2(Rho)) -0.1513569E+00 Diamond 0.1165612E+01 Metallicity 0.4471705E+01 Ellipticity 0.8908981E-02 Gb(Abramov) 0.2137085E+00 Vb(Abramov) -0.2760601E+00 Hb(Abramov) -0.6235161E-01 Ex_ueg -0.5543570E-01 Ec_ueg -0.8022455E-02 Delta_ex -0.6433869E-01 Delta_ec 0.1559400E-01 Delta_et -0.2063889E+00 Pxc 0.6910067E+01 Qxc -0.4125863E+01 3,-1 109 3 -1 -2.971165 1.979882 0.841240 Rho 0.1424780E+00 |GRAD(Rho)| 0.1427141E-12 GRAD(Rho)x -0.9799220E-13 GRAD(Rho)y -0.9801463E-13 GRAD(Rho)z -0.3402886E-13 Laplacian 0.5657945E+00 (-1/4)Del**2(Rho)) -0.1414486E+00 Diamond 0.1083956E+01 Metallicity 0.4733703E+01 Ellipticity 0.3005608E-01 Gb(Abramov) 0.2058951E+00 Vb(Abramov) -0.2703415E+00 Hb(Abramov) -0.6444643E-01 Ex_ueg -0.5496029E-01 Ec_ueg -0.7963753E-02 Delta_ex -0.6006491E-01 Delta_ec 0.1465464E-01 Delta_et -0.1938953E+00 Pxc 0.6901305E+01 Qxc -0.4098696E+01 3,-1 110 3 +1 0.540715 0.547825 1.684886 Rho 0.8722392E-02 |GRAD(Rho)| 0.1058916E-16 GRAD(Rho)x 0.7589415E-18 GRAD(Rho)y 0.5529431E-17 GRAD(Rho)z 0.8998878E-17 Laplacian 0.3631280E-01 (-1/4)Del**2(Rho)) -0.9078199E-02 Diamond 0.1044205E-02 Metallicity 0.7013684E+00 Ellipticity -0.1437099E+01 Gb(Abramov) 0.7113326E-02 Vb(Abramov) -0.5148453E-02 Hb(Abramov) 0.1964873E-02 Ex_ueg -0.1326068E-02 Ec_ueg -0.3104596E-03 Delta_ex -0.1688528E-02 Delta_ec 0.5532388E-03 Delta_et -0.3760940E-02 Pxc 0.4271307E+01 Qxc -0.3052078E+01 3,+1 111 3 -1 -1.687822 -1.685647 -0.491450 Rho 0.3919866E-01 |GRAD(Rho)| 0.1250839E-15 GRAD(Rho)x 0.6141984E-16 GRAD(Rho)y 0.9499030E-16 GRAD(Rho)z -0.5338933E-16 Laplacian 0.1550885E+00 (-1/4)Del**2(Rho)) -0.3877211E-01 Diamond 0.5554201E-01 Metallicity 0.2009798E+01 Ellipticity 0.1167445E-01 Gb(Abramov) 0.3883543E-01 Vb(Abramov) -0.3889874E-01 Hb(Abramov) -0.6331342E-04 Ex_ueg -0.9834373E-02 Ec_ueg -0.1827150E-02 Delta_ex -0.1195809E-01 Delta_ec 0.4530056E-02 Delta_et -0.4476565E-01 Pxc 0.5382358E+01 Qxc -0.2639723E+01 3,-1 112 3 -1 -1.979790 -0.840453 -2.971841 Rho 0.1442950E+00 |GRAD(Rho)| 0.6740368E-15 GRAD(Rho)x 0.1954952E-15 GRAD(Rho)y 0.6447886E-15 GRAD(Rho)z 0.1883801E-16 Laplacian 0.5759156E+00 (-1/4)Del**2(Rho)) -0.1439789E+00 Diamond 0.1118423E+01 Metallicity 0.4749776E+01 Ellipticity 0.3039147E-01 Gb(Abramov) 0.2099639E+00 Vb(Abramov) -0.2759488E+00 Hb(Abramov) -0.6598496E-01 Ex_ueg -0.5589678E-01 Ec_ueg -0.8079318E-02 Delta_ex -0.6130928E-01 Delta_ec 0.1483610E-01 Delta_et -0.1965914E+00 Pxc 0.6918502E+01 Qxc -0.4132439E+01 3,-1 113 3 -1 -0.841971 -1.974172 -2.973858 Rho 0.1425585E+00 |GRAD(Rho)| 0.2257417E-13 GRAD(Rho)x 0.1642553E-13 GRAD(Rho)y -0.1376773E-13 GRAD(Rho)z 0.7088351E-14 Laplacian 0.5684022E+00 (-1/4)Del**2(Rho)) -0.1421006E+00 Diamond 0.1087979E+01 Metallicity 0.4716420E+01 Ellipticity 0.2900607E-01 Gb(Abramov) 0.2064347E+00 Vb(Abramov) -0.2707688E+00 Hb(Abramov) -0.6433414E-01 Ex_ueg -0.5500166E-01 Ec_ueg -0.7968865E-02 Delta_ex -0.6033181E-01 Delta_ec 0.1468759E-01 Delta_et -0.1942785E+00 Pxc 0.6902070E+01 Qxc -0.4107672E+01 3,-1 114 3 +1 -1.172887 -2.107654 -1.187055 Rho 0.2525265E-01 |GRAD(Rho)| 0.5403571E-16 GRAD(Rho)x -0.1528115E-16 GRAD(Rho)y -0.5111431E-16 GRAD(Rho)z -0.8583219E-17 Laplacian 0.1018291E+00 (-1/4)Del**2(Rho)) -0.2545726E-01 Diamond 0.1483405E-01 Metallicity 0.1470911E+01 Ellipticity -0.6807440E+01 Gb(Abramov) 0.2321240E-01 Vb(Abramov) -0.2096754E-01 Hb(Abramov) 0.2244860E-02 Ex_ueg -0.5471768E-02 Ec_ueg -0.1101443E-02 Delta_ex -0.6492806E-02 Delta_ec 0.1982478E-02 Delta_et -0.1748555E-01 Pxc 0.4967817E+01 Qxc -0.3275097E+01 3,+1 115 3 +1 -1.167748 -1.192362 -2.111973 Rho 0.2540076E-01 |GRAD(Rho)| 0.4591379E-16 GRAD(Rho)x -0.1257324E-16 GRAD(Rho)y -0.1650397E-16 GRAD(Rho)z -0.4095862E-16 Laplacian 0.1024168E+00 (-1/4)Del**2(Rho)) -0.2560421E-01 Diamond 0.1499224E-01 Metallicity 0.1476793E+01 Ellipticity -0.6678793E+01 Gb(Abramov) 0.2337149E-01 Vb(Abramov) -0.2113877E-01 Hb(Abramov) 0.2232717E-02 Ex_ueg -0.5514599E-02 Ec_ueg -0.1108913E-02 Delta_ex -0.6535204E-02 Delta_ec 0.1984866E-02 Delta_et -0.1753451E-01 Pxc 0.4972978E+01 Qxc -0.3292517E+01 3,+1 116 3 +1 0.104541 0.101167 -2.912818 Rho 0.4929221E-02 |GRAD(Rho)| 0.4356654E-15 GRAD(Rho)x 0.3076278E-15 GRAD(Rho)y 0.2981997E-15 GRAD(Rho)z 0.7903410E-16 Laplacian 0.2029865E-01 (-1/4)Del**2(Rho)) -0.5074663E-02 Diamond 0.4849169E-03 Metallicity 0.4846667E+00 Ellipticity -0.3870547E+01 Gb(Abramov) 0.3793029E-02 Vb(Abramov) -0.2511394E-02 Hb(Abramov) 0.1281634E-02 Ex_ueg -0.6195687E-03 Ec_ueg -0.1438682E-03 Delta_ex -0.1025895E-02 Delta_ec 0.6738888E-03 Delta_et -0.3630093E-02 Pxc 0.4306503E+01 Qxc -0.1522350E+01 3,+1 117 3 +1 -0.104683 0.101357 2.912833 Rho 0.4929526E-02 |GRAD(Rho)| 0.2081272E-14 GRAD(Rho)x -0.1418775E-14 GRAD(Rho)y 0.1521567E-14 GRAD(Rho)z 0.6002330E-16 Laplacian 0.2030027E-01 (-1/4)Del**2(Rho)) -0.5075067E-02 Diamond 0.4849431E-03 Metallicity 0.4846780E+00 Ellipticity -0.3866586E+01 Gb(Abramov) 0.3793340E-02 Vb(Abramov) -0.2511614E-02 Hb(Abramov) 0.1281727E-02 Ex_ueg -0.6196198E-03 Ec_ueg -0.1438813E-03 Delta_ex -0.1025939E-02 Delta_ec 0.6738533E-03 Delta_et -0.3630004E-02 Pxc 0.4306466E+01 Qxc -0.1522495E+01 3,+1 118 3 -1 -0.363379 -0.354136 -0.363664 Rho 0.2020226E+00 |GRAD(Rho)| 0.4100777E-15 GRAD(Rho)x 0.3516401E-15 GRAD(Rho)y 0.2081714E-15 GRAD(Rho)z 0.3431685E-16 Laplacian 0.7207008E+00 (-1/4)Del**2(Rho)) -0.1801752E+00 Diamond 0.2325343E+01 Metallicity 0.6650558E+01 Ellipticity 0.1562987E-03 Gb(Abramov) 0.3198277E+00 Vb(Abramov) -0.4594802E+00 Hb(Abramov) -0.1396525E+00 Ex_ueg -0.8754909E-01 Ec_ueg -0.1185348E-01 Delta_ex -0.8497925E-01 Delta_ec 0.1975365E-01 Delta_et -0.2816924E+00 Pxc 0.7385938E+01 Qxc -0.4301951E+01 3,-1 119 3 +3 -0.016423 0.010411 2.358448 Rho 0.4360717E-02 |GRAD(Rho)| 0.1035367E-13 GRAD(Rho)x 0.4525348E-14 GRAD(Rho)y -0.4948066E-14 GRAD(Rho)z -0.7889007E-14 Laplacian 0.1803503E-01 (-1/4)Del**2(Rho)) -0.4508758E-02 Diamond 0.1578363E-03 Metallicity 0.4447261E+00 Ellipticity -0.3036634E+00 Gb(Abramov) 0.3340033E-02 Vb(Abramov) -0.2171307E-02 Hb(Abramov) 0.1168726E-02 Ex_ueg -0.5261734E-03 Ec_ueg -0.1195064E-03 Delta_ex -0.6594752E-03 Delta_ec 0.1856653E-03 Delta_et -0.1124194E-02 Pxc 0.4402888E+01 Qxc -0.3551957E+01 3,+3 120 3 -1 1.683526 1.691512 -0.486903 Rho 0.4070918E-01 |GRAD(Rho)| 0.1853071E-15 GRAD(Rho)x 0.1538618E-15 GRAD(Rho)y 0.9650543E-16 GRAD(Rho)z 0.3676875E-16 Laplacian 0.1615818E+00 (-1/4)Del**2(Rho)) -0.4039545E-01 Diamond 0.6113826E-01 Metallicity 0.2054508E+01 Ellipticity 0.1017794E-01 Gb(Abramov) 0.4076244E-01 Vb(Abramov) -0.4112942E-01 Hb(Abramov) -0.3669826E-03 Ex_ueg -0.1034288E-01 Ec_ueg -0.1908145E-02 Delta_ex -0.1258882E-01 Delta_ec 0.4740503E-02 Delta_et -0.4732564E-01 Pxc 0.5420384E+01 Qxc -0.2655587E+01 3,-1 121 3 +1 1.324458 1.045595 -2.110552 Rho 0.2435407E-01 |GRAD(Rho)| 0.1064567E-13 GRAD(Rho)x 0.7955842E-14 GRAD(Rho)y -0.4369588E-14 GRAD(Rho)z -0.5562523E-14 Laplacian 0.9683236E-01 (-1/4)Del**2(Rho)) -0.2420809E-01 Diamond 0.1250193E-01 Metallicity 0.1456169E+01 Ellipticity -0.3706227E+01 Gb(Abramov) 0.2201390E-01 Vb(Abramov) -0.1981972E-01 Hb(Abramov) 0.2194185E-02 Ex_ueg -0.5213712E-02 Ec_ueg -0.1056248E-02 Delta_ex -0.6012636E-02 Delta_ec 0.1700506E-02 Delta_et -0.1490034E-01 Pxc 0.4936070E+01 Qxc -0.3535792E+01 3,+1 122 3 -1 0.491496 1.688863 -1.688926 Rho 0.4063677E-01 |GRAD(Rho)| 0.4555002E-13 GRAD(Rho)x -0.1336188E-13 GRAD(Rho)y 0.3089911E-13 GRAD(Rho)z -0.3068402E-13 Laplacian 0.1614842E+00 (-1/4)Del**2(Rho)) -0.4037105E-01 Diamond 0.6095323E-01 Metallicity 0.2049660E+01 Ellipticity 0.1051964E-01 Gb(Abramov) 0.4070518E-01 Vb(Abramov) -0.4103932E-01 Hb(Abramov) -0.3341355E-03 Ex_ueg -0.1031836E-01 Ec_ueg -0.1904253E-02 Delta_ex -0.1257562E-01 Delta_ec 0.4737663E-02 Delta_et -0.4727473E-01 Pxc 0.5418585E+01 Qxc -0.2654393E+01 3,-1 123 3 -1 0.575121 1.806189 2.784156 Rho 0.1421620E+00 |GRAD(Rho)| 0.1299428E-15 GRAD(Rho)x 0.8832182E-16 GRAD(Rho)y 0.8588236E-16 GRAD(Rho)z 0.4133521E-16 Laplacian 0.6007801E+00 (-1/4)Del**2(Rho)) -0.1501950E+00 Diamond 0.1145236E+01 Metallicity 0.4441572E+01 Ellipticity 0.9214940E-02 Gb(Abramov) 0.2113137E+00 Vb(Abramov) -0.2724324E+00 Hb(Abramov) -0.6111867E-01 Ex_ueg -0.5479779E-01 Ec_ueg -0.7943671E-02 Delta_ex -0.6371582E-01 Delta_ec 0.1551805E-01 Delta_et -0.2051426E+00 Pxc 0.6898295E+01 Qxc -0.4105916E+01 3,-1 124 3 -1 0.844247 1.974066 -2.980019 Rho 0.1472248E+00 |GRAD(Rho)| 0.6109122E-13 GRAD(Rho)x -0.2544934E-13 GRAD(Rho)y 0.4915182E-13 GRAD(Rho)z -0.2585666E-13 Laplacian 0.5851476E+00 (-1/4)Del**2(Rho)) -0.1462869E+00 Diamond 0.1165006E+01 Metallicity 0.4834106E+01 Ellipticity 0.3497403E-01 Gb(Abramov) 0.2153857E+00 Vb(Abramov) -0.2844844E+00 Hb(Abramov) -0.6909876E-01 Ex_ueg -0.5741514E-01 Ec_ueg -0.8266100E-02 Delta_ex -0.6260812E-01 Delta_ec 0.1501579E-01 Delta_et -0.1995905E+00 Pxc 0.6945856E+01 Qxc -0.4169487E+01 3,-1 125 3 +1 1.691907 -0.533078 -0.551009 Rho 0.8407643E-02 |GRAD(Rho)| 0.1238692E-16 GRAD(Rho)x -0.8951444E-17 GRAD(Rho)y 0.4968695E-17 GRAD(Rho)z 0.6972775E-17 Laplacian 0.3485210E-01 (-1/4)Del**2(Rho)) -0.8713026E-02 Diamond 0.9705316E-03 Metallicity 0.6873447E+00 Ellipticity -0.1446889E+01 Gb(Abramov) 0.6806826E-02 Vb(Abramov) -0.4900626E-02 Hb(Abramov) 0.1906200E-02 Ex_ueg -0.1262653E-02 Ec_ueg -0.2963818E-03 Delta_ex -0.1613819E-02 Delta_ec 0.5452759E-03 Delta_et -0.3660439E-02 Pxc 0.4260225E+01 Qxc -0.2959638E+01 3,+1 126 3 -1 1.810526 -2.781262 -0.576118 Rho 0.1422363E+00 |GRAD(Rho)| 0.2671674E-15 GRAD(Rho)x 0.2640303E-15 GRAD(Rho)y 0.3320369E-18 GRAD(Rho)z -0.4082021E-16 Laplacian 0.6012879E+00 (-1/4)Del**2(Rho)) -0.1503220E+00 Diamond 0.1146703E+01 Metallicity 0.4441691E+01 Ellipticity 0.9317140E-02 Gb(Abramov) 0.2114953E+00 Vb(Abramov) -0.2726686E+00 Hb(Abramov) -0.6117329E-01 Ex_ueg -0.5483600E-01 Ec_ueg -0.7948395E-02 Delta_ex -0.6377543E-01 Delta_ec 0.1552495E-01 Delta_et -0.2052408E+00 Pxc 0.6899003E+01 Qxc -0.4107930E+01 3,-1 127 3 +1 1.762311 -1.751049 -1.766927 Rho 0.1228219E-01 |GRAD(Rho)| 0.1176606E-16 GRAD(Rho)x 0.3389948E-17 GRAD(Rho)y 0.1028655E-16 GRAD(Rho)z -0.4597314E-17 Laplacian 0.6211546E-01 (-1/4)Del**2(Rho)) -0.1552886E-01 Diamond 0.2568802E-02 Metallicity 0.7253366E+00 Ellipticity -0.1247734E+01 Gb(Abramov) 0.1222985E-01 Vb(Abramov) -0.8930839E-02 Hb(Abramov) 0.3299013E-02 Ex_ueg -0.2092920E-02 Ec_ueg -0.4726113E-03 Delta_ex -0.3071817E-02 Delta_ec 0.8058548E-03 Delta_et -0.6077285E-02 Pxc 0.4428417E+01 Qxc -0.3811874E+01 3,+1 128 3 +1 1.994827 -1.992965 1.991324 Rho 0.1266169E-01 |GRAD(Rho)| 0.1148699E-12 GRAD(Rho)x -0.3277086E-13 GRAD(Rho)y -0.1050096E-12 GRAD(Rho)z -0.3307779E-13 Laplacian 0.5998843E-01 (-1/4)Del**2(Rho)) -0.1499711E-01 Diamond 0.2135405E-02 Metallicity 0.7901298E+00 Ellipticity -0.1154681E+01 Gb(Abramov) 0.1197301E-01 Vb(Abramov) -0.8948922E-02 Hb(Abramov) 0.3024092E-02 Ex_ueg -0.2179585E-02 Ec_ueg -0.4902004E-03 Delta_ex -0.2869224E-02 Delta_ec 0.5615344E-03 Delta_et -0.4427991E-02 Pxc 0.4446315E+01 Qxc -0.5109614E+01 3,+1 129 3 +3 1.834831 -1.833308 1.832597 Rho 0.1238445E-01 |GRAD(Rho)| 0.9058673E-14 GRAD(Rho)x -0.7577432E-14 GRAD(Rho)y 0.3690915E-14 GRAD(Rho)z -0.3319522E-14 Laplacian 0.5681780E-01 (-1/4)Del**2(Rho)) -0.1420445E-01 Diamond 0.1275768E-02 Metallicity 0.8040014E+00 Ellipticity -0.6974095E+00 Gb(Abramov) 0.1137303E-01 Vb(Abramov) -0.8541615E-02 Hb(Abramov) 0.2831417E-02 Ex_ueg -0.2116187E-02 Ec_ueg -0.4773456E-03 Delta_ex -0.2510980E-02 Delta_ec 0.1925460E-03 Delta_et -0.1866550E-02 Pxc 0.4433239E+01 Qxc -0.1304094E+02 3,+3 130 3 +3 1.115306 -1.092954 -1.114585 Rho 0.4871962E-02 |GRAD(Rho)| 0.1726031E-14 GRAD(Rho)x -0.1201655E-14 GRAD(Rho)y 0.5201121E-15 GRAD(Rho)z -0.1124585E-14 Laplacian 0.1996485E-01 (-1/4)Del**2(Rho)) -0.4991213E-02 Diamond 0.1445352E-03 Metallicity 0.4832666E+00 Ellipticity -0.3403114E-01 Gb(Abramov) 0.3729490E-02 Vb(Abramov) -0.2467767E-02 Hb(Abramov) 0.1261723E-02 Ex_ueg -0.6099912E-03 Ec_ueg -0.1414070E-03 Delta_ex -0.6944196E-03 Delta_ec 0.1050752E-03 Delta_et -0.7784979E-03 Pxc 0.4313728E+01 Qxc -0.6608786E+01 3,+3 131 3 -1 1.974016 -2.974284 0.842185 Rho 0.1449499E+00 |GRAD(Rho)| 0.2250463E-15 GRAD(Rho)x 0.1504059E-15 GRAD(Rho)y 0.8535382E-16 GRAD(Rho)z -0.1440092E-15 Laplacian 0.5784467E+00 (-1/4)Del**2(Rho)) -0.1446117E+00 Diamond 0.1128840E+01 Metallicity 0.4764816E+01 Ellipticity 0.3064905E-01 Gb(Abramov) 0.2112491E+00 Vb(Abramov) -0.2778866E+00 Hb(Abramov) -0.6663745E-01 Ex_ueg -0.5623527E-01 Ec_ueg -0.8121020E-02 Delta_ex -0.6164039E-01 Delta_ec 0.1487314E-01 Delta_et -0.1971877E+00 Pxc 0.6924656E+01 Qxc -0.4144410E+01 3,-1 132 3 -1 1.687756 -1.685701 0.491581 Rho 0.3919752E-01 |GRAD(Rho)| 0.2018175E-16 GRAD(Rho)x 0.2390539E-17 GRAD(Rho)y 0.2253319E-17 GRAD(Rho)z 0.1991258E-16 Laplacian 0.1550850E+00 (-1/4)Del**2(Rho)) -0.3877126E-01 Diamond 0.5553861E-01 Metallicity 0.2009745E+01 Ellipticity 0.1167771E-01 Gb(Abramov) 0.3883423E-01 Vb(Abramov) -0.3889719E-01 Hb(Abramov) -0.6296789E-04 Ex_ueg -0.9833990E-02 Ec_ueg -0.1827088E-02 Delta_ex -0.1195774E-01 Delta_ec 0.4529960E-02 Delta_et -0.4476435E-01 Pxc 0.5382329E+01 Qxc -0.2639702E+01 3,-1 133 3 -1 3.196961 -3.203063 -0.055149 Rho 0.2540623E+00 |GRAD(Rho)| 0.9642222E-11 GRAD(Rho)x 0.6630475E-11 GRAD(Rho)y -0.6760405E-11 GRAD(Rho)z 0.1818289E-11 Laplacian 0.9124296E+00 (-1/4)Del**2(Rho)) -0.2281074E+00 Diamond 0.3452513E+01 Metallicity 0.7696872E+01 Ellipticity 0.1053660E-02 Gb(Abramov) 0.4446905E+00 Vb(Abramov) -0.6612737E+00 Hb(Abramov) -0.2165831E+00 Ex_ueg -0.1188426E+00 Ec_ueg -0.1541661E-01 Delta_ex -0.1118801E+00 Delta_ec 0.1978361E-01 Delta_et -0.2743014E+00 Pxc 0.7708735E+01 Qxc -0.5655189E+01 3,-1 134 3 -1 2.784803 -1.815943 -0.576627 Rho 0.1425931E+00 |GRAD(Rho)| 0.1272863E-11 GRAD(Rho)x 0.2910476E-12 GRAD(Rho)y 0.9115883E-12 GRAD(Rho)z -0.8393315E-12 Laplacian 0.5987794E+00 (-1/4)Del**2(Rho)) -0.1496949E+00 Diamond 0.1145142E+01 Metallicity 0.4478962E+01 Ellipticity 0.1105216E-01 Gb(Abramov) 0.2115428E+00 Vb(Abramov) -0.2733908E+00 Hb(Abramov) -0.6184798E-01 Ex_ueg -0.5501949E-01 Ec_ueg -0.7971067E-02 Delta_ex -0.6354586E-01 Delta_ec 0.1544657E-01 Delta_et -0.2042719E+00 Pxc 0.6902400E+01 Qxc -0.4113914E+01 3,-1 135 3 -1 2.975037 -1.977534 0.840124 Rho 0.1449923E+00 |GRAD(Rho)| 0.5863114E-13 GRAD(Rho)x -0.1784276E-13 GRAD(Rho)y 0.4586629E-13 GRAD(Rho)z 0.3186739E-13 Laplacian 0.5786937E+00 (-1/4)Del**2(Rho)) -0.1446734E+00 Diamond 0.1130231E+01 Metallicity 0.4765107E+01 Ellipticity 0.3105967E-01 Gb(Abramov) 0.2113463E+00 Vb(Abramov) -0.2780193E+00 Hb(Abramov) -0.6667291E-01 Ex_ueg -0.5625723E-01 Ec_ueg -0.8123724E-02 Delta_ex -0.6167645E-01 Delta_ec 0.1488795E-01 Delta_et -0.1974133E+00 Pxc 0.6925054E+01 Qxc -0.4142710E+01 3,-1 136 3 -1 -1.804140 2.780285 -0.577947 Rho 0.1449089E+00 |GRAD(Rho)| 0.3848295E-14 GRAD(Rho)x -0.2896338E-14 GRAD(Rho)y -0.5560331E-15 GRAD(Rho)z 0.2472130E-14 Laplacian 0.6120209E+00 (-1/4)Del**2(Rho)) -0.1530052E+00 Diamond 0.1191940E+01 Metallicity 0.4501308E+01 Ellipticity 0.8932620E-02 Gb(Abramov) 0.2167907E+00 Vb(Abramov) -0.2805763E+00 Hb(Abramov) -0.6378553E-01 Ex_ueg -0.5621409E-01 Ec_ueg -0.8118411E-02 Delta_ex -0.6519259E-01 Delta_ec 0.1569997E-01 Delta_et -0.2080594E+00 Pxc 0.6924272E+01 Qxc -0.4152401E+01 3,-1 137 3 -1 -3.197077 -3.202919 0.055337 Rho 0.2540630E+00 |GRAD(Rho)| 0.3381687E-10 GRAD(Rho)x -0.2437264E-10 GRAD(Rho)y -0.2319965E-10 GRAD(Rho)z -0.3366190E-11 Laplacian 0.9124343E+00 (-1/4)Del**2(Rho)) -0.2281086E+00 Diamond 0.3452543E+01 Metallicity 0.7696866E+01 Ellipticity 0.1053263E-02 Gb(Abramov) 0.4446926E+00 Vb(Abramov) -0.6612766E+00 Hb(Abramov) -0.2165840E+00 Ex_ueg -0.1188430E+00 Ec_ueg -0.1541666E-01 Delta_ex -0.1118807E+00 Delta_ec 0.1978371E-01 Delta_et -0.2743029E+00 Pxc 0.7708739E+01 Qxc -0.5655194E+01 3,-1 138 3 -1 -1.974136 -2.974238 -0.841997 Rho 0.1449254E+00 |GRAD(Rho)| 0.3337307E-14 GRAD(Rho)x -0.1763211E-14 GRAD(Rho)y 0.1092876E-14 GRAD(Rho)z 0.2614255E-14 Laplacian 0.5783476E+00 (-1/4)Del**2(Rho)) -0.1445869E+00 Diamond 0.1128433E+01 Metallicity 0.4764291E+01 Ellipticity 0.3061619E-01 Gb(Abramov) 0.2112003E+00 Vb(Abramov) -0.2778137E+00 Hb(Abramov) -0.6661338E-01 Ex_ueg -0.5622261E-01 Ec_ueg -0.8119461E-02 Delta_ex -0.6162744E-01 Delta_ec 0.1487149E-01 Delta_et -0.1971615E+00 Pxc 0.6924427E+01 Qxc -0.4144000E+01 3,-1 139 3 -1 -1.810618 -2.781193 0.576294 Rho 0.1422431E+00 |GRAD(Rho)| 0.3139150E-15 GRAD(Rho)x -0.3115319E-15 GRAD(Rho)y -0.2337811E-16 GRAD(Rho)z 0.3072358E-16 Laplacian 0.6013115E+00 (-1/4)Del**2(Rho)) -0.1503279E+00 Diamond 0.1146799E+01 Metallicity 0.4441866E+01 Ellipticity 0.9321262E-02 Gb(Abramov) 0.2115080E+00 Vb(Abramov) -0.2726881E+00 Hb(Abramov) -0.6118009E-01 Ex_ueg -0.5483946E-01 Ec_ueg -0.7948822E-02 Delta_ex -0.6377853E-01 Delta_ec 0.1552512E-01 Delta_et -0.2052440E+00 Pxc 0.6899068E+01 Qxc -0.4108085E+01 3,-1 140 3 +1 -0.057471 2.902823 0.057648 Rho 0.5062749E-02 |GRAD(Rho)| 0.1490064E-14 GRAD(Rho)x -0.1055710E-14 GRAD(Rho)y -0.1018213E-15 GRAD(Rho)z 0.1046614E-14 Laplacian 0.2064986E-01 (-1/4)Del**2(Rho)) -0.5162466E-02 Diamond 0.5349704E-03 Metallicity 0.4981269E+00 Ellipticity -0.1509395E+02 Gb(Abramov) 0.3870238E-02 Vb(Abramov) -0.2578010E-02 Hb(Abramov) 0.1292228E-02 Ex_ueg -0.6420471E-03 Ec_ueg -0.1496141E-03 Delta_ex -0.1070511E-02 Delta_ec 0.7240660E-03 Delta_et -0.3917237E-02 Pxc 0.4291353E+01 Qxc -0.1478472E+01 3,+1 141 3 -1 -0.845133 2.971772 1.981066 Rho 0.1438117E+00 |GRAD(Rho)| 0.5921402E-15 GRAD(Rho)x 0.2486482E-15 GRAD(Rho)y -0.3323351E-15 GRAD(Rho)z 0.4223239E-15 Laplacian 0.5733869E+00 (-1/4)Del**2(Rho)) -0.1433467E+00 Diamond 0.1109875E+01 Metallicity 0.4744122E+01 Ellipticity 0.3032829E-01 Gb(Abramov) 0.2089069E+00 Vb(Abramov) -0.2744670E+00 Hb(Abramov) -0.6556015E-01 Ex_ueg -0.5564730E-01 Ec_ueg -0.8048559E-02 Delta_ex -0.6099896E-01 Delta_ec 0.1479893E-01 Delta_et -0.1960362E+00 Pxc 0.6913946E+01 Qxc -0.4121849E+01 3,-1 142 3 -1 0.578744 -1.807906 -2.788854 Rho 0.1467458E+00 |GRAD(Rho)| 0.1171944E-14 GRAD(Rho)x -0.8646106E-15 GRAD(Rho)y -0.7767766E-15 GRAD(Rho)z 0.1500671E-15 Laplacian 0.6162873E+00 (-1/4)Del**2(Rho)) -0.1540718E+00 Diamond 0.1218012E+01 Metallicity 0.4564987E+01 Ellipticity 0.1162710E-01 Gb(Abramov) 0.2199372E+00 Vb(Abramov) -0.2858026E+00 Hb(Abramov) -0.6586538E-01 Ex_ueg -0.5716622E-01 Ec_ueg -0.8235527E-02 Delta_ex -0.6584427E-01 Delta_ec 0.1575067E-01 Delta_et -0.2090897E+00 Pxc 0.6941415E+01 Qxc -0.4180411E+01 3,-1 143 3 -1 0.486593 -1.681310 1.689898 Rho 0.3934352E-01 |GRAD(Rho)| 0.2307078E-14 GRAD(Rho)x 0.1294153E-14 GRAD(Rho)y -0.1876466E-14 GRAD(Rho)z -0.3558811E-15 Laplacian 0.1555970E+00 (-1/4)Del**2(Rho)) -0.3889925E-01 Diamond 0.5603914E-01 Metallicity 0.2015582E+01 Ellipticity 0.1107920E-01 Gb(Abramov) 0.3900028E-01 Vb(Abramov) -0.3910130E-01 Hb(Abramov) -0.1010244E-03 Ex_ueg -0.9882860E-02 Ec_ueg -0.1834899E-02 Delta_ex -0.1201037E-01 Delta_ec 0.4548480E-02 Delta_et -0.4499270E-01 Pxc 0.5386051E+01 Qxc -0.2640523E+01 3,-1 144 3 -1 0.841868 -1.974044 2.973996 Rho 0.1425703E+00 |GRAD(Rho)| 0.4404336E-14 GRAD(Rho)x -0.2934366E-14 GRAD(Rho)y -0.2787579E-14 GRAD(Rho)z -0.1736973E-14 Laplacian 0.5684495E+00 (-1/4)Del**2(Rho)) -0.1421124E+00 Diamond 0.1088178E+01 Metallicity 0.4716677E+01 Ellipticity 0.2901438E-01 Gb(Abramov) 0.2064580E+00 Vb(Abramov) -0.2708035E+00 Hb(Abramov) -0.6434557E-01 Ex_ueg -0.5500772E-01 Ec_ueg -0.7969613E-02 Delta_ex -0.6033805E-01 Delta_ec 0.1468853E-01 Delta_et -0.1942933E+00 Pxc 0.6902182E+01 Qxc -0.4107835E+01 3,-1 145 3 +1 1.167694 -1.192304 2.112044 Rho 0.2540093E-01 |GRAD(Rho)| 0.1753924E-14 GRAD(Rho)x 0.2180037E-15 GRAD(Rho)y -0.7648062E-15 GRAD(Rho)z 0.1563264E-14 Laplacian 0.1024187E+00 (-1/4)Del**2(Rho)) -0.2560468E-01 Diamond 0.1499306E-01 Metallicity 0.1476782E+01 Ellipticity -0.6680555E+01 Gb(Abramov) 0.2337188E-01 Vb(Abramov) -0.2113908E-01 Hb(Abramov) 0.2232804E-02 Ex_ueg -0.5514649E-02 Ec_ueg -0.1108922E-02 Delta_ex -0.6535380E-02 Delta_ec 0.1984980E-02 Delta_et -0.1753553E-01 Pxc 0.4972984E+01 Qxc -0.3292417E+01 3,+1 146 3 +3 1.843946 1.826638 -1.846496 Rho 0.1218983E-01 |GRAD(Rho)| 0.5569868E-15 GRAD(Rho)x -0.3386225E-15 GRAD(Rho)y -0.3008971E-15 GRAD(Rho)z 0.3240833E-15 Laplacian 0.5595869E-01 (-1/4)Del**2(Rho)) -0.1398967E-01 Diamond 0.1236935E-02 Metallicity 0.7950759E+00 Ellipticity -0.6807215E+00 Gb(Abramov) 0.1118026E-01 Vb(Abramov) -0.8370842E-02 Hb(Abramov) 0.2809416E-02 Ex_ueg -0.2071964E-02 Ec_ueg -0.4683395E-03 Delta_ex -0.2463724E-02 Delta_ec 0.1937346E-03 Delta_et -0.1864113E-02 Pxc 0.4424063E+01 Qxc -0.1271700E+02 3,+3 147 3 -1 1.974664 2.973807 -0.842753 Rho 0.1427337E+00 |GRAD(Rho)| 0.1686151E-14 GRAD(Rho)x 0.1110453E-14 GRAD(Rho)y -0.5326008E-15 GRAD(Rho)z 0.1151667E-14 Laplacian 0.5694438E+00 (-1/4)Del**2(Rho)) -0.1423610E+00 Diamond 0.1092178E+01 Metallicity 0.4717441E+01 Ellipticity 0.3004611E-01 Gb(Abramov) 0.2068372E+00 Vb(Abramov) -0.2713135E+00 Hb(Abramov) -0.6447625E-01 Ex_ueg -0.5509182E-01 Ec_ueg -0.7980001E-02 Delta_ex -0.6046681E-01 Delta_ec 0.1472140E-01 Delta_et -0.1947855E+00 Pxc 0.6903736E+01 Qxc -0.4107408E+01 3,-1 148 3 -1 3.191564 3.197385 0.061621 Rho 0.2537264E+00 |GRAD(Rho)| 0.3457232E-14 GRAD(Rho)x 0.2436853E-14 GRAD(Rho)y -0.5662788E-15 GRAD(Rho)z 0.2386112E-14 Laplacian 0.9142767E+00 (-1/4)Del**2(Rho)) -0.2285692E+00 Diamond 0.3451522E+01 Metallicity 0.7664402E+01 Ellipticity 0.1057256E-02 Gb(Abramov) 0.4443538E+00 Vb(Abramov) -0.6601384E+00 Hb(Abramov) -0.2157846E+00 Ex_ueg -0.1186331E+00 Ec_ueg -0.1539314E-01 Delta_ex -0.1120553E+00 Delta_ec 0.1980985E-01 Delta_et -0.2745553E+00 Pxc 0.7706884E+01 Qxc -0.5656546E+01 3,-1 149 3 -1 1.687292 -0.484342 1.687057 Rho 0.3998140E-01 |GRAD(Rho)| 0.1583108E-12 GRAD(Rho)x 0.9382816E-13 GRAD(Rho)y 0.1176846E-12 GRAD(Rho)z -0.4908088E-13 Laplacian 0.1585582E+00 (-1/4)Del**2(Rho)) -0.3963956E-01 Diamond 0.5845655E-01 Metallicity 0.2031675E+01 Ellipticity 0.1070640E-01 Gb(Abramov) 0.3984882E-01 Vb(Abramov) -0.4005809E-01 Hb(Abramov) -0.2092659E-03 Ex_ueg -0.1009708E-01 Ec_ueg -0.1869069E-02 Delta_ex -0.1229308E-01 Delta_ec 0.4643677E-02 Delta_et -0.4613425E-01 Pxc 0.5402196E+01 Qxc -0.2647274E+01 3,-1 150 3 -1 -2.974583 -0.839550 -1.972809 Rho 0.1419182E+00 |GRAD(Rho)| 0.5107552E-14 GRAD(Rho)x -0.1151260E-14 GRAD(Rho)y -0.2737854E-14 GRAD(Rho)z 0.4155218E-14 Laplacian 0.5657634E+00 (-1/4)Del**2(Rho)) -0.1414408E+00 Diamond 0.1077148E+01 Metallicity 0.4703000E+01 Ellipticity 0.2802259E-01 Gb(Abramov) 0.2051600E+00 Vb(Abramov) -0.2688791E+00 Hb(Abramov) -0.6371911E-01 Ex_ueg -0.5467252E-01 Ec_ueg -0.7928185E-02 Delta_ex -0.5998649E-01 Delta_ec 0.1463662E-01 Delta_et -0.1934765E+00 Pxc 0.6895969E+01 Qxc -0.4098385E+01 3,-1 151 3 -1 -2.789221 -0.579293 1.820443 Rho 0.1340663E+00 |GRAD(Rho)| 0.1951608E-15 GRAD(Rho)x -0.6115578E-17 GRAD(Rho)y -0.1242767E-15 GRAD(Rho)z -0.1503517E-15 Laplacian 0.5659828E+00 (-1/4)Del**2(Rho)) -0.1414957E+00 Diamond 0.9907904E+00 Metallicity 0.4275723E+01 Ellipticity 0.1337622E-01 Gb(Abramov) 0.1951632E+00 Vb(Abramov) -0.2488307E+00 Hb(Abramov) -0.5366750E-01 Ex_ueg -0.5067706E-01 Ec_ueg -0.7431471E-02 Delta_ex -0.5900629E-01 Delta_ec 0.1452395E-01 Delta_et -0.1896842E+00 Pxc 0.6819250E+01 Qxc -0.4062689E+01 3,-1 152 3 -1 -3.204297 -0.062638 3.192995 Rho 0.2431715E+00 |GRAD(Rho)| 0.6405572E-15 GRAD(Rho)x 0.6237415E-15 GRAD(Rho)y 0.1455270E-15 GRAD(Rho)z -0.9053088E-17 Laplacian 0.8569316E+00 (-1/4)Del**2(Rho)) -0.2142329E+00 Diamond 0.3103938E+01 Metallicity 0.7618241E+01 Ellipticity 0.2844483E-03 Gb(Abramov) 0.4148349E+00 Vb(Abramov) -0.6154369E+00 Hb(Abramov) -0.2006020E+00 Ex_ueg -0.1120990E+00 Ec_ueg -0.1465862E-01 Delta_ex -0.1040211E+00 Delta_ec 0.1908952E-01 Delta_et -0.2655811E+00 Pxc 0.7647310E+01 Qxc -0.5449121E+01 3,-1 153 3 -1 -1.683453 1.691623 0.486794 Rho 0.4070729E-01 |GRAD(Rho)| 0.3266095E-15 GRAD(Rho)x -0.2501081E-15 GRAD(Rho)y 0.1987190E-15 GRAD(Rho)z -0.6804734E-16 Laplacian 0.1615717E+00 (-1/4)Del**2(Rho)) -0.4039293E-01 Diamond 0.6113024E-01 Metallicity 0.2054478E+01 Ellipticity 0.1017850E-01 Gb(Abramov) 0.4075968E-01 Vb(Abramov) -0.4112644E-01 Hb(Abramov) -0.3667536E-03 Ex_ueg -0.1034224E-01 Ec_ueg -0.1908044E-02 Delta_ex -0.1258787E-01 Delta_ec 0.4740175E-02 Delta_et -0.4732177E-01 Pxc 0.5420337E+01 Qxc -0.2655570E+01 3,-1 154 3 +3 -1.843889 1.826805 1.846395 Rho 0.1218998E-01 |GRAD(Rho)| 0.1744618E-15 GRAD(Rho)x 0.1157487E-15 GRAD(Rho)y -0.9023278E-16 GRAD(Rho)z -0.9432489E-16 Laplacian 0.5596021E-01 (-1/4)Del**2(Rho)) -0.1399005E-01 Diamond 0.1236947E-02 Metallicity 0.7950706E+00 Ellipticity -0.6807119E+00 Gb(Abramov) 0.1118055E-01 Vb(Abramov) -0.8371043E-02 Hb(Abramov) 0.2809504E-02 Ex_ueg -0.2071997E-02 Ec_ueg -0.4683464E-03 Delta_ex -0.2463787E-02 Delta_ec 0.1937179E-03 Delta_et -0.1864016E-02 Pxc 0.4424070E+01 Qxc -0.1271843E+02 3,+3 155 3 -1 -0.491402 1.688991 1.688815 Rho 0.4064142E-01 |GRAD(Rho)| 0.1445582E-12 GRAD(Rho)x -0.4489626E-13 GRAD(Rho)y -0.9655079E-13 GRAD(Rho)z -0.9777190E-13 Laplacian 0.1615070E+00 (-1/4)Del**2(Rho)) -0.4037675E-01 Diamond 0.6097221E-01 Metallicity 0.2049761E+01 Ellipticity 0.1051816E-01 Gb(Abramov) 0.4071162E-01 Vb(Abramov) -0.4104648E-01 Hb(Abramov) -0.3348645E-03 Ex_ueg -0.1031993E-01 Ec_ueg -0.1904503E-02 Delta_ex -0.1257780E-01 Delta_ec 0.4738417E-02 Delta_et -0.4728372E-01 Pxc 0.5418701E+01 Qxc -0.2654431E+01 3,-1 156 3 -1 -0.571074 2.777471 -1.811433 Rho 0.1405596E+00 |GRAD(Rho)| 0.7515767E-12 GRAD(Rho)x 0.4842459E-12 GRAD(Rho)y -0.1531230E-12 GRAD(Rho)z -0.5540098E-12 Laplacian 0.5932142E+00 (-1/4)Del**2(Rho)) -0.1483036E+00 Diamond 0.1115054E+01 Metallicity 0.4414038E+01 Ellipticity 0.8907374E-02 Gb(Abramov) 0.2079720E+00 Vb(Abramov) -0.2676403E+00 Hb(Abramov) -0.5966840E-01 Ex_ueg -0.5397582E-01 Ec_ueg -0.7841962E-02 Delta_ex -0.6273485E-01 Delta_ec 0.1535597E-01 Delta_et -0.2026358E+00 Pxc 0.6882949E+01 Qxc -0.4085372E+01 3,-1 157 3 -1 -0.054636 3.191769 -3.201989 Rho 0.2537733E+00 |GRAD(Rho)| 0.4918805E-10 GRAD(Rho)x -0.8414098E-11 GRAD(Rho)y 0.3428782E-10 GRAD(Rho)z -0.3424928E-10 Laplacian 0.9143710E+00 (-1/4)Del**2(Rho)) -0.2285928E+00 Diamond 0.3452746E+01 Metallicity 0.7665971E+01 Ellipticity 0.1060427E-02 Gb(Abramov) 0.4444594E+00 Vb(Abramov) -0.6603261E+00 Hb(Abramov) -0.2158667E+00 Ex_ueg -0.1186623E+00 Ec_ueg -0.1539641E-01 Delta_ex -0.1120728E+00 Delta_ec 0.1981166E-01 Delta_et -0.2745855E+00 Pxc 0.7707142E+01 Qxc -0.5656913E+01 3,-1 158 3 -1 0.054830 3.191974 3.201725 Rho 0.2537771E+00 |GRAD(Rho)| 0.4923018E-10 GRAD(Rho)x 0.8424261E-11 GRAD(Rho)y 0.3431995E-10 GRAD(Rho)z 0.3427512E-10 Laplacian 0.9143931E+00 (-1/4)Del**2(Rho)) -0.2285983E+00 Diamond 0.3452899E+01 Metallicity 0.7665980E+01 Ellipticity 0.1057769E-02 Gb(Abramov) 0.4444705E+00 Vb(Abramov) -0.6603426E+00 Hb(Abramov) -0.2158722E+00 Ex_ueg -0.1186647E+00 Ec_ueg -0.1539668E-01 Delta_ex -0.1120760E+00 Delta_ec 0.1981211E-01 Delta_et -0.2745921E+00 Pxc 0.7707164E+01 Qxc -0.5656945E+01 3,-1 159 3 -1 0.363304 0.374394 -0.363366 Rho 0.2035025E+00 |GRAD(Rho)| 0.1302178E-15 GRAD(Rho)x -0.1289127E-15 GRAD(Rho)y 0.1419070E-16 GRAD(Rho)z 0.1169680E-16 Laplacian 0.7361444E+00 (-1/4)Del**2(Rho)) -0.1840361E+00 Diamond 0.2391473E+01 Metallicity 0.6590725E+01 Ellipticity 0.2625872E-02 Gb(Abramov) 0.3248460E+00 Vb(Abramov) -0.4656558E+00 Hb(Abramov) -0.1408099E+00 Ex_ueg -0.8840528E-01 Ec_ueg -0.1195275E-01 Delta_ex -0.8692699E-01 Delta_ec 0.2008479E-01 Delta_et -0.2865177E+00 Pxc 0.7396229E+01 Qxc -0.4328000E+01 3,-1 160 3 -1 1.699853 0.492126 -1.694151 Rho 0.3581323E-01 |GRAD(Rho)| 0.3163223E-16 GRAD(Rho)x -0.8472765E-17 GRAD(Rho)y 0.4170896E-17 GRAD(Rho)z 0.3018963E-16 Laplacian 0.1488641E+00 (-1/4)Del**2(Rho)) -0.3721603E-01 Diamond 0.4909906E-01 Metallicity 0.1801201E+01 Ellipticity 0.7846180E-02 Gb(Abramov) 0.3598294E-01 Vb(Abramov) -0.3474986E-01 Hb(Abramov) 0.1233083E-02 Ex_ueg -0.8718525E-02 Ec_ueg -0.1647178E-02 Delta_ex -0.1135543E-01 Delta_ec 0.4584801E-02 Delta_et -0.4422413E-01 Pxc 0.5293008E+01 Qxc -0.2476756E+01 3,-1 161 3 -1 1.811132 0.577196 2.781738 Rho 0.1444071E+00 |GRAD(Rho)| 0.5679791E-13 GRAD(Rho)x 0.4205632E-13 GRAD(Rho)y -0.3739987E-13 GRAD(Rho)z -0.7649744E-14 Laplacian 0.6096834E+00 (-1/4)Del**2(Rho)) -0.1524208E+00 Diamond 0.1183492E+01 Metallicity 0.4492517E+01 Ellipticity 0.8617191E-02 Gb(Abramov) 0.2157394E+00 Vb(Abramov) -0.2790580E+00 Hb(Abramov) -0.6331859E-01 Ex_ueg -0.5595468E-01 Ec_ueg -0.8086455E-02 Delta_ex -0.6489946E-01 Delta_ec 0.1567284E-01 Delta_et -0.2076372E+00 Pxc 0.6919557E+01 Qxc -0.4140887E+01 3,-1 162 3 +1 2.112900 -1.182931 1.174456 Rho 0.2533892E-01 |GRAD(Rho)| 0.4058796E-14 GRAD(Rho)x 0.3510715E-14 GRAD(Rho)y -0.1995133E-14 GRAD(Rho)z 0.4100500E-15 Laplacian 0.1021081E+00 (-1/4)Del**2(Rho)) -0.2552702E-01 Diamond 0.1489650E-01 Metallicity 0.1475253E+01 Ellipticity -0.6650616E+01 Gb(Abramov) 0.2329449E-01 Vb(Abramov) -0.2106195E-01 Hb(Abramov) 0.2232539E-02 Ex_ueg -0.5496706E-02 Ec_ueg -0.1105793E-02 Delta_ex -0.6511284E-02 Delta_ec 0.1978766E-02 Delta_et -0.1746979E-01 Pxc 0.4970826E+01 Qxc -0.3290578E+01 3,+1 163 3 -1 -2.784098 0.576163 -1.806384 Rho 0.1429049E+00 |GRAD(Rho)| 0.3627706E-12 GRAD(Rho)x -0.8425998E-13 GRAD(Rho)y 0.2371278E-12 GRAD(Rho)z 0.2612913E-12 Laplacian 0.6029683E+00 (-1/4)Del**2(Rho)) -0.1507421E+00 Diamond 0.1155896E+01 Metallicity 0.4464063E+01 Ellipticity 0.8322195E-02 Gb(Abramov) 0.2126484E+00 Vb(Abramov) -0.2745547E+00 Hb(Abramov) -0.6190632E-01 Ex_ueg -0.5517991E-01 Ec_ueg -0.7990881E-02 Delta_ex -0.6402147E-01 Delta_ec 0.1554090E-01 Delta_et -0.2055743E+00 Pxc 0.6905361E+01 Qxc -0.4119547E+01 3,-1 164 3 -1 -2.976678 0.836610 1.984641 Rho 0.1341080E+00 |GRAD(Rho)| 0.1270271E-15 GRAD(Rho)x 0.2785722E-16 GRAD(Rho)y 0.4495373E-16 GRAD(Rho)z -0.1154946E-15 Laplacian 0.5315748E+00 (-1/4)Del**2(Rho)) -0.1328937E+00 Diamond 0.9342599E+00 Metallicity 0.4554843E+01 Ellipticity 0.4356075E-01 Gb(Abramov) 0.1894808E+00 Vb(Abramov) -0.2460679E+00 Hb(Abramov) -0.5658710E-01 Ex_ueg -0.5069807E-01 Ec_ueg -0.7434098E-02 Delta_ex -0.5546209E-01 Delta_ec 0.1370925E-01 Delta_et -0.1791902E+00 Pxc 0.6819667E+01 Qxc -0.4045597E+01 3,-1 165 3 -1 -1.974570 2.973913 0.842582 Rho 0.1427252E+00 |GRAD(Rho)| 0.4032414E-12 GRAD(Rho)x 0.3772174E-12 GRAD(Rho)y 0.1739066E-13 GRAD(Rho)z -0.1414505E-12 Laplacian 0.5694031E+00 (-1/4)Del**2(Rho)) -0.1423508E+00 Diamond 0.1092023E+01 Metallicity 0.4717311E+01 Ellipticity 0.3003610E-01 Gb(Abramov) 0.2068193E+00 Vb(Abramov) -0.2712879E+00 Hb(Abramov) -0.6446856E-01 Ex_ueg -0.5508745E-01 Ec_ueg -0.7979462E-02 Delta_ex -0.6046163E-01 Delta_ec 0.1472060E-01 Delta_et -0.1947732E+00 Pxc 0.6903655E+01 Qxc -0.4107280E+01 3,-1 166 3 -1 1.979765 -0.840387 2.971867 Rho 0.1442812E+00 |GRAD(Rho)| 0.5218252E-14 GRAD(Rho)x -0.8378579E-15 GRAD(Rho)y 0.5132654E-14 GRAD(Rho)z 0.4289646E-15 Laplacian 0.5758612E+00 (-1/4)Del**2(Rho)) -0.1439653E+00 Diamond 0.1118187E+01 Metallicity 0.4749468E+01 Ellipticity 0.3038155E-01 Gb(Abramov) 0.2099366E+00 Vb(Abramov) -0.2759080E+00 Hb(Abramov) -0.6597133E-01 Ex_ueg -0.5588965E-01 Ec_ueg -0.8078440E-02 Delta_ex -0.6130204E-01 Delta_ec 0.1483502E-01 Delta_et -0.1965743E+00 Pxc 0.6918372E+01 Qxc -0.4132252E+01 3,-1 167 3 -1 1.822937 -0.575195 -2.786303 Rho 0.1301128E+00 |GRAD(Rho)| 0.4856820E-15 GRAD(Rho)x 0.3430009E-15 GRAD(Rho)y 0.2913116E-15 GRAD(Rho)z 0.1826881E-15 Laplacian 0.5477784E+00 (-1/4)Del**2(Rho)) -0.1369446E+00 Diamond 0.9260770E+00 Metallicity 0.4202827E+01 Ellipticity 0.9070217E-02 Gb(Abramov) 0.1872221E+00 Vb(Abramov) -0.2374997E+00 Hb(Abramov) -0.5027754E-01 Ex_ueg -0.4869432E-01 Ec_ueg -0.7182877E-02 Delta_ex -0.5670784E-01 Delta_ec 0.1418096E-01 Delta_et -0.1843817E+00 Pxc 0.6779222E+01 Qxc -0.3998872E+01 3,-1 168 3 -1 2.789210 -0.579574 -1.820394 Rho 0.1340803E+00 |GRAD(Rho)| 0.1963283E-15 GRAD(Rho)x 0.2516365E-16 GRAD(Rho)y -0.8237226E-16 GRAD(Rho)z 0.1764268E-15 Laplacian 0.5660380E+00 (-1/4)Del**2(Rho)) -0.1415095E+00 Diamond 0.9910052E+00 Metallicity 0.4276047E+01 Ellipticity 0.1338260E-01 Gb(Abramov) 0.1951899E+00 Vb(Abramov) -0.2488703E+00 Hb(Abramov) -0.5368038E-01 Ex_ueg -0.5068409E-01 Ec_ueg -0.7432350E-02 Delta_ex -0.5901347E-01 Delta_ec 0.1452489E-01 Delta_et -0.1896992E+00 Pxc 0.6819389E+01 Qxc -0.4062922E+01 3,-1 169 3 -1 -0.486695 -1.681401 -1.689761 Rho 0.3934587E-01 |GRAD(Rho)| 0.4116011E-13 GRAD(Rho)x 0.1847770E-13 GRAD(Rho)y -0.2791146E-13 GRAD(Rho)z -0.2395161E-13 Laplacian 0.1556078E+00 (-1/4)Del**2(Rho)) -0.3890196E-01 Diamond 0.5604782E-01 Metallicity 0.2015643E+01 Ellipticity 0.1108203E-01 Gb(Abramov) 0.3900338E-01 Vb(Abramov) -0.3910480E-01 Hb(Abramov) -0.1014222E-03 Ex_ueg -0.9883647E-02 Ec_ueg -0.1835025E-02 Delta_ex -0.1201139E-01 Delta_ec 0.4548819E-02 Delta_et -0.4499678E-01 Pxc 0.5386111E+01 Qxc -0.2640552E+01 3,-1 170 3 -1 -1.687308 -0.484363 -1.687037 Rho 0.3998039E-01 |GRAD(Rho)| 0.2431739E-14 GRAD(Rho)x -0.1668327E-14 GRAD(Rho)y -0.2640619E-15 GRAD(Rho)z -0.1749375E-14 Laplacian 0.1585537E+00 (-1/4)Del**2(Rho)) -0.3963841E-01 Diamond 0.5845265E-01 Metallicity 0.2031649E+01 Ellipticity 0.1070656E-01 Gb(Abramov) 0.3984750E-01 Vb(Abramov) -0.4005658E-01 Hb(Abramov) -0.2090851E-03 Ex_ueg -0.1009674E-01 Ec_ueg -0.1869015E-02 Delta_ex -0.1229264E-01 Delta_ec 0.4643522E-02 Delta_et -0.4613239E-01 Pxc 0.5402171E+01 Qxc -0.2647267E+01 3,-1 171 3 -1 2.974578 -0.839552 1.972841 Rho 0.1419252E+00 |GRAD(Rho)| 0.1097018E-11 GRAD(Rho)x 0.4736375E-12 GRAD(Rho)y -0.7639620E-12 GRAD(Rho)z -0.6288710E-12 Laplacian 0.5658021E+00 (-1/4)Del**2(Rho)) -0.1414505E+00 Diamond 0.1077289E+01 Metallicity 0.4703069E+01 Ellipticity 0.2802685E-01 Gb(Abramov) 0.2051756E+00 Vb(Abramov) -0.2689007E+00 Hb(Abramov) -0.6372509E-01 Ex_ueg -0.5467615E-01 Ec_ueg -0.7928634E-02 Delta_ex -0.5999135E-01 Delta_ec 0.1463750E-01 Delta_et -0.1934897E+00 Pxc 0.6896037E+01 Qxc -0.4098470E+01 3,-1 172 3 -1 3.204270 -0.063028 -3.192970 Rho 0.2431689E+00 |GRAD(Rho)| 0.9461905E-13 GRAD(Rho)x -0.6207724E-13 GRAD(Rho)y 0.1075324E-13 GRAD(Rho)z 0.7059425E-13 Laplacian 0.8569215E+00 (-1/4)Del**2(Rho)) -0.2142304E+00 Diamond 0.3103856E+01 Metallicity 0.7618197E+01 Ellipticity 0.2843878E-03 Gb(Abramov) 0.4148284E+00 Vb(Abramov) -0.6154265E+00 Hb(Abramov) -0.2005981E+00 Ex_ueg -0.1120975E+00 Ec_ueg -0.1465845E-01 Delta_ex -0.1040196E+00 Delta_ec 0.1908930E-01 Delta_et -0.2655776E+00 Pxc 0.7647295E+01 Qxc -0.5449104E+01 3,-1 173 3 -1 3.199733 0.061893 3.195224 Rho 0.2541646E+00 |GRAD(Rho)| 0.2810058E-14 GRAD(Rho)x -0.1958828E-14 GRAD(Rho)y -0.4320275E-15 GRAD(Rho)z -0.1967935E-14 Laplacian 0.9138097E+00 (-1/4)Del**2(Rho)) -0.2284524E+00 Diamond 0.3457611E+01 Metallicity 0.7690405E+01 Ellipticity 0.8228780E-03 Gb(Abramov) 0.4451169E+00 Vb(Abramov) -0.6617814E+00 Hb(Abramov) -0.2166645E+00 Ex_ueg -0.1189064E+00 Ec_ueg -0.1542376E-01 Delta_ex -0.1120522E+00 Delta_ec 0.1979525E-01 Delta_et -0.2743893E+00 Pxc 0.7709298E+01 Qxc -0.5660563E+01 3,-1 174 3 -1 0.579509 -2.777476 -1.812579 Rho 0.1435591E+00 |GRAD(Rho)| 0.3150567E-13 GRAD(Rho)x 0.2649271E-13 GRAD(Rho)y 0.1321429E-13 GRAD(Rho)z 0.1077617E-13 Laplacian 0.6067361E+00 (-1/4)Del**2(Rho)) -0.1516840E+00 Diamond 0.1169989E+01 Metallicity 0.4470242E+01 Ellipticity 0.8531485E-02 Gb(Abramov) 0.2141334E+00 Vb(Abramov) -0.2765828E+00 Hb(Abramov) -0.6244938E-01 Ex_ueg -0.5551699E-01 Ec_ueg -0.8032485E-02 Delta_ex -0.6449837E-01 Delta_ec 0.1562943E-01 Delta_et -0.2069042E+00 Pxc 0.6911558E+01 Qxc -0.4126726E+01 3,-1 175 3 -1 -0.363286 0.374437 0.363369 Rho 0.2035000E+00 |GRAD(Rho)| 0.2658721E-15 GRAD(Rho)x 0.1045571E-15 GRAD(Rho)y -0.1232388E-15 GRAD(Rho)z -0.2111113E-15 Laplacian 0.7361111E+00 (-1/4)Del**2(Rho)) -0.1840278E+00 Diamond 0.2391323E+01 Metallicity 0.6590887E+01 Ellipticity 0.2627989E-02 Gb(Abramov) 0.3248362E+00 Vb(Abramov) -0.4656447E+00 Hb(Abramov) -0.1408085E+00 Ex_ueg -0.8840381E-01 Ec_ueg -0.1195258E-01 Delta_ex -0.8692275E-01 Delta_ec 0.2008388E-01 Delta_et -0.2865039E+00 Pxc 0.7396212E+01 Qxc -0.4327987E+01 3,-1 176 3 -1 2.784101 0.576163 1.806362 Rho 0.1429233E+00 |GRAD(Rho)| 0.1056462E-15 GRAD(Rho)x 0.6714600E-16 GRAD(Rho)y -0.8155911E-16 GRAD(Rho)z 0.7995991E-18 Laplacian 0.6030568E+00 (-1/4)Del**2(Rho)) -0.1507642E+00 Diamond 0.1156246E+01 Metallicity 0.4464366E+01 Ellipticity 0.8323081E-02 Gb(Abramov) 0.2126873E+00 Vb(Abramov) -0.2746103E+00 Hb(Abramov) -0.6192304E-01 Ex_ueg -0.5518940E-01 Ec_ueg -0.7992052E-02 Delta_ex -0.6403290E-01 Delta_ec 0.1554273E-01 Delta_et -0.2056025E+00 Pxc 0.6905536E+01 Qxc -0.4119799E+01 3,-1 177 3 -1 1.987553 0.832598 -2.974010 Rho 0.1299332E+00 |GRAD(Rho)| 0.2098175E-13 GRAD(Rho)x 0.1279766E-13 GRAD(Rho)y -0.1526966E-13 GRAD(Rho)z 0.6579596E-14 Laplacian 0.5144713E+00 (-1/4)Del**2(Rho)) -0.1286178E+00 Diamond 0.8710194E+00 Metallicity 0.4464630E+01 Ellipticity 0.3809109E-01 Gb(Abramov) 0.1814504E+00 Vb(Abramov) -0.2342829E+00 Hb(Abramov) -0.5283255E-01 Ex_ueg -0.4860472E-01 Ec_ueg -0.7171608E-02 Delta_ex -0.5327448E-01 Delta_ec 0.1338115E-01 Delta_et -0.1740539E+00 Pxc 0.6777381E+01 Qxc -0.3981309E+01 3,-1 178 3 -1 0.571231 2.777568 1.811270 Rho 0.1405792E+00 |GRAD(Rho)| 0.1407135E-15 GRAD(Rho)x -0.4172823E-16 GRAD(Rho)y -0.5255670E-16 GRAD(Rho)z -0.1236804E-15 Laplacian 0.5932987E+00 (-1/4)Del**2(Rho)) -0.1483247E+00 Diamond 0.1115396E+01 Metallicity 0.4414434E+01 Ellipticity 0.8904095E-02 Gb(Abramov) 0.2080114E+00 Vb(Abramov) -0.2676981E+00 Hb(Abramov) -0.5968669E-01 Ex_ueg -0.5398585E-01 Ec_ueg -0.7843204E-02 Delta_ex -0.6274588E-01 Delta_ec 0.1535758E-01 Delta_et -0.2026612E+00 Pxc 0.6883138E+01 Qxc -0.4085663E+01 3,-1 179 3 -1 0.845244 2.971647 -1.981232 Rho 0.1438079E+00 |GRAD(Rho)| 0.3397664E-12 GRAD(Rho)x 0.2443822E-12 GRAD(Rho)y 0.1428885E-12 GRAD(Rho)z 0.1878867E-12 Laplacian 0.5733711E+00 (-1/4)Del**2(Rho)) -0.1433428E+00 Diamond 0.1109811E+01 Metallicity 0.4744041E+01 Ellipticity 0.3031363E-01 Gb(Abramov) 0.2088992E+00 Vb(Abramov) -0.2744556E+00 Hb(Abramov) -0.6555640E-01 Ex_ueg -0.5564531E-01 Ec_ueg -0.8048314E-02 Delta_ex -0.6099691E-01 Delta_ec 0.1479866E-01 Delta_et -0.1960319E+00 Pxc 0.6913909E+01 Qxc -0.4121785E+01 3,-1 180 3 -1 -0.579633 -2.777381 1.812756 Rho 0.1435449E+00 |GRAD(Rho)| 0.1097103E-13 GRAD(Rho)x 0.7637527E-14 GRAD(Rho)y -0.5641239E-16 GRAD(Rho)z 0.7875821E-14 Laplacian 0.6066618E+00 (-1/4)Del**2(Rho)) -0.1516655E+00 Diamond 0.1169709E+01 Metallicity 0.4470055E+01 Ellipticity 0.8525809E-02 Gb(Abramov) 0.2141025E+00 Vb(Abramov) -0.2765395E+00 Hb(Abramov) -0.6243701E-01 Ex_ueg -0.5550969E-01 Ec_ueg -0.8031585E-02 Delta_ex -0.6448894E-01 Delta_ec 0.1562792E-01 Delta_et -0.2068812E+00 Pxc 0.6911425E+01 Qxc -0.4126521E+01 3,-1 181 3 -1 0.363362 -0.354133 0.363704 Rho 0.2020257E+00 |GRAD(Rho)| 0.1577558E-12 GRAD(Rho)x -0.9296710E-13 GRAD(Rho)y 0.8722165E-13 GRAD(Rho)z -0.9293217E-13 Laplacian 0.7207392E+00 (-1/4)Del**2(Rho)) -0.1801848E+00 Diamond 0.2325512E+01 Metallicity 0.6650376E+01 Ellipticity 0.1591752E-03 Gb(Abramov) 0.3198393E+00 Vb(Abramov) -0.4594939E+00 Hb(Abramov) -0.1396545E+00 Ex_ueg -0.8755092E-01 Ec_ueg -0.1185369E-01 Delta_ex -0.8498412E-01 Delta_ec 0.1975464E-01 Delta_et -0.2817071E+00 Pxc 0.7385961E+01 Qxc -0.4301984E+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 76 143 85 180 144 89 87 169 142 174 113 84 83 122 77 156 124 179 157 155 123 178 79 141 158 132 134 126 135 131 133 120 101 95 103 147 148 153 108 136 109 165 54 111 57 139 56 138 137 170 163 71 150 112 105 69 151 106 164 74 152 149 176 161 171 166 173 160 168 167 97 177 172 181 118 159 175 1 1 1 1 1 1 2 2 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 13 14 15 16 13 24 26 33 39 41 14 21 28 36 37 42 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 52 53 53 53 53 2.471154 1.920827 1.928682 1.941980 1.944562 1.722626 2.471128 1.920928 1.928640 1.942013 1.944450 1.722624 2.456435 1.932443 1.937260 1.930060 1.938664 1.722890 2.456382 1.932437 1.937205 1.930129 1.938654 1.722884 2.472648 1.932152 1.932195 1.935147 1.935308 1.722517 2.455991 1.929269 1.925256 1.943146 1.941570 1.722967 2.456014 1.929236 1.925212 1.943219 1.941596 1.722971 2.472638 1.932107 1.932179 1.935156 1.935374 1.722515 2.464057 1.930678 1.926448 1.943795 1.937135 1.722353 2.488003 1.931730 1.944180 1.942886 1.955686 1.712067 2.464046 1.930625 1.926462 1.943772 1.937173 1.722357 2.488002 1.931691 1.944069 1.942934 1.955769 1.712072 1.557791 1.557799 1.554502 1.554508 2.472162 1.921242 1.929042 1.942652 1.945199 1.722628 2.472138 1.921346 1.929001 1.942647 1.945088 1.722625 2.457493 1.932820 1.937682 1.930675 1.939287 1.722894 2.457444 1.932861 1.937582 1.930742 1.939275 1.722890 2.473657 1.932610 1.932565 1.935774 1.935932 1.722520 2.457048 1.929642 1.925630 1.943771 1.942242 1.722973 2.457067 1.929659 1.925587 1.943886 1.942228 1.722973 2.473649 1.932519 1.932550 1.935785 1.935999 1.722516 2.465085 1.931058 1.926871 1.944472 1.937766 1.722354 2.488974 1.932281 1.944720 1.943706 1.956525 1.712076 2.465075 1.931002 1.926886 1.944449 1.937801 1.722361 2.488973 1.932231 1.944611 1.943754 1.956603 1.712079 1.557794 1.557801 1.554513 1.554519 29 23 23 27 23 20 29 23 23 23 23 21 29 23 26 23 23 22 29 26 23 23 23 24 29 25 23 23 23 22 29 23 23 23 27 24 29 26 23 26 23 20 29 23 23 23 23 21 29 23 25 26 23 21 29 26 23 23 26 22 29 23 27 26 23 22 29 23 23 23 23 20 20 21 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 53 W W W W W W W W W Mo 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 O O O O O O O O O O O O O O O O O P 2.5197 2.5197 2.5105 2.5105 2.5194 2.5110 2.5110 2.5194 2.5220 2.3920 2.5220 2.3920 -1.0525 -1.0525 -1.0492 -1.0492 -0.9161 -0.9161 -0.9489 -0.9489 -0.9173 -0.9492 -0.9492 -0.9173 -0.9504 -0.9475 -0.9504 -0.9475 -0.9470 -0.9470 -0.9096 -0.9095 -0.9477 -0.9106 -0.9106 -0.9477 -0.9484 -0.9443 -0.9484 -0.9443 -0.7336 -0.7336 -0.7335 -0.7335 -0.7333 -0.7337 -0.7337 -0.7333 -0.7327 -0.6534 -0.7328 -0.6535 2.3684 2.0801 2.0801 2.0835 2.0835 2.0802 2.0837 2.0837 2.0802 2.0821 1.9439 2.0821 1.9439 1.8918 1.8918 1.8927 1.8927 1.9392 1.9392 1.9350 1.9350 1.9390 1.9349 1.9349 1.9390 1.9349 1.9355 1.9349 1.9355 1.9468 1.9468 1.9497 1.9497 1.9469 1.9494 1.9494 1.9469 1.9470 1.9482 1.9470 1.9482 1.9757 1.9757 1.9758 1.9758 1.9758 1.9758 1.9758 1.9758 1.9758 1.9875 1.9758 1.9875 2.4875 6.0823 6.0823 6.0880 6.0880 6.0823 6.0880 6.0880 6.0823 6.0831 6.0547 6.0831 6.0547 5.1199 5.1199 5.1154 5.1154 4.9485 4.9485 4.9833 4.9833 4.9498 4.9837 4.9837 4.9498 4.9851 4.9815 4.9851 4.9815 4.9670 4.9670 4.9291 4.9290 4.9677 4.9303 4.9303 4.9676 4.9683 4.9628 4.9683 4.9628 4.7192 4.7192 4.7191 4.7191 4.7188 4.7193 4.7193 4.7188 4.7183 4.6293 4.7183 4.6293 7.3081 3.2888 3.2888 3.2890 3.2890 3.2892 3.2883 3.2883 3.2892 3.2837 3.6094 3.2837 3.6094 0.0408 0.0408 0.0411 0.0411 0.0284 0.0284 0.0306 0.0306 0.0285 0.0306 0.0306 0.0285 0.0304 0.0306 0.0304 0.0306 0.0332 0.0332 0.0308 0.0308 0.0332 0.0309 0.0309 0.0332 0.0331 0.0333 0.0331 0.0333 0.0387 0.0387 0.0386 0.0386 0.0387 0.0386 0.0386 0.0387 0.0387 0.0367 0.0387 0.0367 0.8360 14.0290 14.0290 14.0290 14.0290 14.0290 14.0290 14.0290 14.0290 14.0290 0.0000 14.0290 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 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 53 W W W W W W W W W Mo 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 O O O O O O O O O O O O O O O O O P 2.526010 2.526015 2.527010 2.527014 2.526232 2.526789 2.526782 2.526230 2.528007 3.188526 2.528010 3.188531 -1.036098 -1.036100 -1.067316 -1.067316 -1.050423 -1.050424 -0.936057 -0.936054 -1.047727 -0.935853 -0.935850 -1.047697 -0.937251 -0.933736 -0.937243 -0.933732 -0.912017 -0.912017 -1.021762 -1.021767 -0.912275 -1.018658 -1.018676 -0.912268 -0.912754 -0.909114 -0.912763 -0.909114 -0.755468 -0.755462 -0.755031 -0.755035 -0.755068 -0.755299 -0.755302 -0.755067 -0.754906 -0.918525 -0.754913 -0.918532 2.005516 1.956152 1.956148 1.955189 1.955191 1.956159 1.954317 1.954317 1.956150 1.951958 2.376781 1.951952 2.376776 -0.771582 -0.771583 -0.815560 -0.815556 -0.799715 -0.799718 -0.699451 -0.699434 -0.801516 -0.699186 -0.699185 -0.801528 -0.699487 -0.698901 -0.699466 -0.698900 -0.733695 -0.733697 -0.821481 -0.821487 -0.733248 -0.822379 -0.822377 -0.733247 -0.735743 -0.733416 -0.735775 -0.733415 -0.637406 -0.637402 -0.635221 -0.635229 -0.637072 -0.635877 -0.635875 -0.637076 -0.639255 -0.676383 -0.639265 -0.676393 1.552094 2.055158 2.055155 2.053004 2.053007 2.055340 2.052592 2.052588 2.055334 2.049412 2.460663 2.049408 2.460659 -0.825295 -0.825294 -0.855383 -0.855381 -0.874396 -0.874378 -0.774573 -0.774560 -0.874245 -0.774728 -0.774729 -0.874246 -0.776425 -0.776569 -0.776398 -0.776575 -0.767798 -0.767802 -0.860428 -0.860419 -0.767986 -0.859459 -0.859460 -0.767976 -0.772431 -0.774450 -0.772462 -0.774447 -0.604582 -0.604578 -0.599327 -0.599334 -0.604179 -0.599622 -0.599622 -0.604181 -0.606594 -0.636794 -0.606604 -0.636804 1.518191 -0.00018592 -0.22215344 -0.00036718 0.22215383 2.64384772 -0.00083846 -7.28959266 -5.12208823 0.00012273 2.47824051 -411.5481 408.1817 -62.5824 -385.4863 -10.3006 -461.7356 Apr02-2024 10:54:58 Nodes: 1 Procs: 1 Apr02-2024 10:54:58 Nodes: 1 Procs: 1 0 Apr02-2024 10:54:59 Nodes: 1 Procs: 1 Apr02-2024 10:54:59 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr02-2024 10:55:00 Nodes: 1 Procs: 1 Apr02-2024 10:55:00 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr02-2024 10:55:01 Nodes: 1 Procs: 1 Apr02-2024 10:55:02 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr02-2024 10:55:04 Nodes: 1 Procs: 24 *** (NO TITLE) *** -3 -16.96349321 -16.96480039 -16.96566240 -16.96590639 -16.96640969 -16.96723842 -16.96766909 -16.96810615 -16.96822895 -16.96833196 -16.96837125 -16.96839385 -16.96840642 -16.96842669 -16.96844345 -16.96847179 GEOMETRY CONVERGED