ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Feb12-2023 21:59:38 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.03 0.42 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 Feb12-2023 21:59:38 Nodes: 1 Procs: 1 Feb12-2023 21:59:38 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Feb12-2023 21:59:39 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.57 0.05 0.67 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 Feb12-2023 21:59:38 Nodes: 1 Procs: 1 Feb12-2023 21:59:38 Nodes: 1 Procs: 1 0 Feb12-2023 21:59:39 Nodes: 1 Procs: 1 Feb12-2023 21:59:39 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Feb12-2023 21:59:40 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.73 0.05 0.82 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 Feb12-2023 21:59:38 Nodes: 1 Procs: 1 Feb12-2023 21:59:38 Nodes: 1 Procs: 1 0 Feb12-2023 21:59:39 Nodes: 1 Procs: 1 Feb12-2023 21:59:39 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Feb12-2023 21:59:40 Nodes: 1 Procs: 1 Feb12-2023 21:59:41 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Feb12-2023 21:59:41 Hydrogen (TZP) kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 0.02 0.52 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 Feb12-2023 21:59:38 Nodes: 1 Procs: 1 Feb12-2023 21:59:38 Nodes: 1 Procs: 1 0 Feb12-2023 21:59:39 Nodes: 1 Procs: 1 Feb12-2023 21:59:39 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Feb12-2023 21:59:40 Nodes: 1 Procs: 1 Feb12-2023 21:59:41 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Feb12-2023 21:59:41 Nodes: 1 Procs: 1 Feb12-2023 21:59:42 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Feb12-2023 21:59:43 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 1710.2903609999973 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0.193363 -3.805381 3.696798 -0.168580 -3.903645 -3.637327 0.226548 -3.793109 0.292888 -3.681268 -3.714724 -0.195680 3.843081 3.686057 0.187124 3.818435 -0.590494 -3.341590 -1.265761 1 3 -3 0.050529 -2.609938 2.519709 Rho 0.1240650E+06 3,-3 2 3 -3 0.112923 2.535993 -2.478033 Rho 0.1240650E+06 3,-3 3 3 -3 -0.026499 2.620620 2.461092 Rho 0.1240650E+06 3,-3 4 3 -3 2.445574 -2.610029 -0.023903 Rho 0.1240649E+06 3,-3 5 3 -3 2.686522 2.482752 -0.139021 Rho 0.1240650E+06 3,-3 6 3 -3 -2.606601 2.453245 0.064087 Rho 0.1240649E+06 3,-3 7 3 -3 -2.651002 -2.483240 -0.106531 Rho 0.1240650E+06 3,-3 8 3 -3 -2.442715 -0.270262 -2.721624 Rho 0.1240648E+06 3,-3 9 3 -3 -2.491728 0.159547 2.662328 Rho 0.1240650E+06 3,-3 10 3 -3 2.512002 -0.170546 2.588215 Rho 0.1240650E+06 3,-3 11 3 -3 2.436529 -0.063623 -2.672256 Rho 0.1240649E+06 3,-3 12 3 -3 -0.071545 -0.047806 -0.042628 Rho 0.2439550E+04 3,-3 13 3 -3 0.825285 -0.979394 0.847591 Rho 0.3187961E+03 3,-3 14 3 -3 -1.028686 -0.897136 -0.918310 Rho 0.3187891E+03 3,-3 15 3 -3 0.875401 0.825209 -0.942071 Rho 0.3187995E+03 3,-3 16 3 -3 -0.892398 0.904635 0.901969 Rho 0.3187955E+03 3,-3 17 3 -3 -3.001923 -1.172289 1.189755 Rho 0.3190430E+03 3,-3 18 3 -3 3.008598 -1.159177 -1.160746 Rho 0.3189658E+03 3,-3 19 3 -3 -3.059057 1.169814 -1.119967 Rho 0.3191911E+03 3,-3 20 3 -3 3.010162 1.218992 1.218717 Rho 0.3189976E+03 3,-3 21 3 -3 1.301601 -1.217151 -3.306493 Rho 0.3194861E+03 3,-3 22 3 -3 1.106582 1.172449 2.991671 Rho 0.3190117E+03 3,-3 23 3 -3 -1.158945 1.156685 -2.995383 Rho 0.3189707E+03 3,-3 24 3 -3 -1.170517 -1.176400 3.065396 Rho 0.3190051E+03 3,-3 25 3 -3 -1.170585 3.036498 -1.113469 Rho 0.3190025E+03 3,-3 26 3 -3 -1.210344 -3.071245 1.233453 Rho 0.3190536E+03 3,-3 27 3 -3 1.182742 3.114078 1.159692 Rho 0.3190720E+03 3,-3 28 3 -3 1.214180 -3.258788 -1.103960 Rho 0.3193706E+03 3,-3 29 3 -3 3.358252 -1.436370 1.545343 Rho 0.3191507E+03 3,-3 30 3 -3 -3.448318 -1.549909 -1.562390 Rho 0.3190452E+03 3,-3 31 3 -3 3.452439 1.541837 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(-1/4)Del**2(Rho)) -0.3967947E-02 Diamond 0.1183171E-03 Metallicity 0.4086579E+00 Ellipticity -0.3111506E+00 Gb(Abramov) 0.2915553E-02 Vb(Abramov) -0.1863160E-02 Hb(Abramov) 0.1052394E-02 Ex_ueg -0.4439661E-03 Ec_ueg -0.9729959E-04 Delta_ex -0.5641490E-03 Delta_ec 0.1667492E-03 Delta_et -0.9737748E-03 Pxc 0.4562877E+01 Qxc -0.3383218E+01 3,+3 55 3 -1 -2.832061 1.764548 -0.565487 Rho 0.1884325E+00 |GRAD(Rho)| 0.1301473E-10 GRAD(Rho)x -0.3046033E-11 GRAD(Rho)y -0.9341797E-11 GRAD(Rho)z -0.8534383E-11 Laplacian 0.7625960E+00 (-1/4)Del**2(Rho)) -0.1906490E+00 Diamond 0.1987277E+01 Metallicity 0.5596435E+01 Ellipticity 0.2740813E-01 Gb(Abramov) 0.3049251E+00 Vb(Abramov) -0.4192012E+00 Hb(Abramov) -0.1142761E+00 Ex_ueg -0.7978587E-01 Ec_ueg -0.1094767E-01 Delta_ex -0.8635960E-01 Delta_ec 0.1765235E-01 Delta_et -0.2395234E+00 Pxc 0.7287934E+01 Qxc -0.4892243E+01 3,-1 56 3 -1 -3.015961 1.916253 0.858074 Rho 0.1221825E+00 |GRAD(Rho)| 0.6333373E-16 GRAD(Rho)x 0.2553974E-16 GRAD(Rho)y 0.3653761E-16 GRAD(Rho)z 0.4498761E-16 Laplacian 0.4719568E+00 (-1/4)Del**2(Rho)) -0.1179892E+00 Diamond 0.7477221E+00 Metallicity 0.4392640E+01 Ellipticity 0.3555379E-01 Gb(Abramov) 0.1650402E+00 Vb(Abramov) -0.2120911E+00 Hb(Abramov) -0.4705096E-01 Ex_ueg -0.4477788E-01 Ec_ueg -0.6687373E-02 Delta_ex -0.4822769E-01 Delta_ec 0.1258759E-01 Delta_et -0.1623036E+00 Pxc 0.6695885E+01 Qxc -0.3831368E+01 3,-1 57 3 +1 -2.047180 2.005995 2.078894 Rho 0.1203078E-01 |GRAD(Rho)| 0.2208537E-16 GRAD(Rho)x 0.5055700E-18 GRAD(Rho)y 0.1723153E-16 GRAD(Rho)z -0.1380516E-16 Laplacian 0.5558592E-01 (-1/4)Del**2(Rho)) -0.1389648E-01 Diamond 0.1925707E-02 Metallicity 0.7830776E+00 Ellipticity -0.1206111E+01 Gb(Abramov) 0.1107799E-01 Vb(Abramov) -0.8259501E-02 Hb(Abramov) 0.2818490E-02 Ex_ueg -0.2035996E-02 Ec_ueg -0.4609902E-03 Delta_ex -0.2645016E-02 Delta_ec 0.5623808E-03 Delta_et -0.4341677E-02 Pxc 0.4416571E+01 Qxc -0.4703247E+01 3,+1 58 3 +1 -2.133881 1.160883 1.222064 Rho 0.2303414E-01 |GRAD(Rho)| 0.9392711E-16 GRAD(Rho)x 0.8360994E-16 GRAD(Rho)y 0.1456052E-16 GRAD(Rho)z -0.4024513E-16 Laplacian 0.9039110E-01 (-1/4)Del**2(Rho)) -0.2259777E-01 Diamond 0.1177701E-01 Metallicity 0.1421589E+01 Ellipticity -0.7446324E+01 Gb(Abramov) 0.2041931E-01 Vb(Abramov) -0.1824084E-01 Hb(Abramov) 0.2178465E-02 Ex_ueg -0.4840398E-02 Ec_ueg -0.9902547E-03 Delta_ex -0.5647694E-02 Delta_ec 0.1796630E-02 Delta_et -0.1546721E-01 Pxc 0.4888033E+01 Qxc -0.3143493E+01 3,+1 59 3 +3 -0.115185 -2.412240 -0.141929 Rho 0.3643712E-02 |GRAD(Rho)| 0.3280167E-17 GRAD(Rho)x 0.2839254E-17 GRAD(Rho)y -0.9486769E-19 GRAD(Rho)z -0.1639856E-17 Laplacian 0.1492578E-01 (-1/4)Del**2(Rho)) -0.3731445E-02 Diamond 0.8525622E-04 Metallicity 0.3983360E+00 Ellipticity -0.2430394E+00 Gb(Abramov) 0.2735358E-02 Vb(Abramov) -0.1739271E-02 Hb(Abramov) 0.9960870E-03 Ex_ueg -0.4141050E-03 Ec_ueg -0.8902142E-04 Delta_ex -0.4976743E-03 Delta_ec 0.1102372E-03 Delta_et -0.6930430E-03 Pxc 0.4651746E+01 Qxc -0.4514575E+01 3,+3 60 3 -1 -2.046687 -3.050649 -0.715474 Rho 0.1342095E+00 |GRAD(Rho)| 0.4648308E-15 GRAD(Rho)x -0.3955034E-15 GRAD(Rho)y 0.1671365E-15 GRAD(Rho)z 0.1780734E-15 Laplacian 0.4960502E+00 (-1/4)Del**2(Rho)) -0.1240126E+00 Diamond 0.8911776E+00 Metallicity 0.4887196E+01 Ellipticity 0.1212449E+00 Gb(Abramov) 0.1836873E+00 Vb(Abramov) -0.2433621E+00 Hb(Abramov) -0.5967477E-01 Ex_ueg -0.5074924E-01 Ec_ueg -0.7440494E-02 Delta_ex -0.5197957E-01 Delta_ec 0.1317360E-01 Delta_et -0.1729664E+00 Pxc 0.6820682E+01 Qxc -0.3945737E+01 3,-1 61 3 +1 -0.670423 -1.736222 0.505883 Rho 0.8113768E-02 |GRAD(Rho)| 0.1104798E-16 GRAD(Rho)x -0.6192870E-17 GRAD(Rho)y 0.6911789E-17 GRAD(Rho)z -0.5994452E-17 Laplacian 0.3322322E-01 (-1/4)Del**2(Rho)) -0.8305805E-02 Diamond 0.8747396E-03 Metallicity 0.6795307E+00 Ellipticity -0.1437693E+01 Gb(Abramov) 0.6477878E-02 Vb(Abramov) -0.4649952E-02 Hb(Abramov) 0.1827927E-02 Ex_ueg -0.1204153E-02 Ec_ueg -0.2832775E-03 Delta_ex -0.1521637E-02 Delta_ec 0.5139425E-03 Delta_et -0.3422122E-02 Pxc 0.4250791E+01 Qxc -0.2960714E+01 3,+1 62 3 -1 -1.889785 -2.774918 0.594146 Rho 0.1001053E+00 |GRAD(Rho)| 0.1016189E-13 GRAD(Rho)x 0.9246937E-14 GRAD(Rho)y 0.3735959E-14 GRAD(Rho)z 0.1949572E-14 Laplacian 0.4081909E+00 (-1/4)Del**2(Rho)) -0.1020477E+00 Diamond 0.5079086E+00 Metallicity 0.3643440E+01 Ellipticity 0.1273257E-01 Gb(Abramov) 0.1299993E+00 Vb(Abramov) -0.1579508E+00 Hb(Abramov) -0.2795155E-01 Ex_ueg -0.3432900E-01 Ec_ueg -0.5331431E-02 Delta_ex -0.3978200E-01 Delta_ec 0.1136716E-01 Delta_et -0.1412173E+00 Pxc 0.6438984E+01 Qxc -0.3499732E+01 3,-1 63 3 +1 0.061114 -3.085109 0.121675 Rho 0.4665233E-02 |GRAD(Rho)| 0.1592704E-12 GRAD(Rho)x 0.1339677E-12 GRAD(Rho)y 0.5398678E-13 GRAD(Rho)z -0.6712044E-13 Laplacian 0.1882289E-01 (-1/4)Del**2(Rho)) -0.4705723E-02 Diamond 0.3963872E-03 Metallicity 0.4768507E+00 Ellipticity -0.2544153E+01 Gb(Abramov) 0.3511137E-02 Vb(Abramov) -0.2316550E-02 Hb(Abramov) 0.1194586E-02 Ex_ueg -0.5757265E-03 Ec_ueg -0.1325350E-03 Delta_ex -0.9198995E-03 Delta_ec 0.5863047E-03 Delta_et -0.3121110E-02 Pxc 0.4343958E+01 Qxc -0.1568978E+01 3,+1 64 3 +1 -1.777987 1.742088 -1.735510 Rho 0.1115192E-01 |GRAD(Rho)| 0.1343712E-12 GRAD(Rho)x -0.1159356E-12 GRAD(Rho)y -0.4891440E-13 GRAD(Rho)z 0.4713734E-13 Laplacian 0.5395827E-01 (-1/4)Del**2(Rho)) -0.1348957E-01 Diamond 0.1988367E-02 Metallicity 0.7108937E+00 Ellipticity -0.1286687E+01 Gb(Abramov) 0.1059132E-01 Vb(Abramov) -0.7693071E-02 Hb(Abramov) 0.2898248E-02 Ex_ueg -0.1840142E-02 Ec_ueg -0.4205616E-03 Delta_ex -0.2612131E-02 Delta_ec 0.7190968E-03 Delta_et -0.5280975E-02 Pxc 0.4375439E+01 Qxc -0.3632516E+01 3,+1 65 3 -1 -1.843237 2.744640 -0.555621 Rho 0.1306419E+00 |GRAD(Rho)| 0.1235127E-15 GRAD(Rho)x 0.1040021E-15 GRAD(Rho)y 0.5549760E-17 GRAD(Rho)z -0.6639383E-16 Laplacian 0.5327376E+00 (-1/4)Del**2(Rho)) -0.1331844E+00 Diamond 0.9114372E+00 Metallicity 0.4350813E+01 Ellipticity 0.1194464E-01 Gb(Abramov) 0.1853664E+00 Vb(Abramov) -0.2375483E+00 Hb(Abramov) -0.5218195E-01 Ex_ueg -0.4895852E-01 Ec_ueg -0.7216086E-02 Delta_ex -0.5528142E-01 Delta_ec 0.1391466E-01 Delta_et -0.1812961E+00 Pxc 0.6784636E+01 Qxc -0.3972889E+01 3,-1 66 3 +3 1.114811 1.115233 1.040399 Rho 0.4232986E-02 |GRAD(Rho)| 0.3475278E-14 GRAD(Rho)x -0.6666690E-15 GRAD(Rho)y 0.2595109E-14 GRAD(Rho)z -0.2213260E-14 Laplacian 0.1714504E-01 (-1/4)Del**2(Rho)) -0.4286259E-02 Diamond 0.1111758E-03 Metallicity 0.4451976E+00 Ellipticity -0.3486110E+00 Gb(Abramov) 0.3175545E-02 Vb(Abramov) -0.2064830E-02 Hb(Abramov) 0.1110714E-02 Ex_ueg -0.5057247E-03 Ec_ueg -0.1140559E-03 Delta_ex -0.5840904E-03 Delta_ec 0.1082985E-03 Delta_et -0.7365158E-03 Pxc 0.4434009E+01 Qxc -0.5393338E+01 3,+3 67 3 -1 -2.032929 2.906162 0.846107 Rho 0.1062333E+00 |GRAD(Rho)| 0.1956342E-15 GRAD(Rho)x 0.7245181E-16 GRAD(Rho)y 0.8465586E-16 GRAD(Rho)z 0.1608007E-15 Laplacian 0.4234367E+00 (-1/4)Del**2(Rho)) -0.1058592E+00 Diamond 0.5625729E+00 Metallicity 0.3877863E+01 Ellipticity 0.2362208E-01 Gb(Abramov) 0.1389907E+00 Vb(Abramov) -0.1721222E+00 Hb(Abramov) -0.3313149E-01 Ex_ueg -0.3715916E-01 Ec_ueg -0.5704165E-02 Delta_ex -0.4179111E-01 Delta_ec 0.1153996E-01 Delta_et -0.1448994E+00 Pxc 0.6514391E+01 Qxc -0.3621425E+01 3,-1 68 3 +1 -0.539209 1.670940 -0.560432 Rho 0.8536865E-02 |GRAD(Rho)| 0.2616020E-16 GRAD(Rho)x -0.1463956E-17 GRAD(Rho)y 0.1692622E-16 GRAD(Rho)z 0.1989260E-16 Laplacian 0.3499719E-01 (-1/4)Del**2(Rho)) -0.8749296E-02 Diamond 0.9681723E-03 Metallicity 0.7021190E+00 Ellipticity -0.1434414E+01 Gb(Abramov) 0.6856706E-02 Vb(Abramov) -0.4964115E-02 Hb(Abramov) 0.1892591E-02 Ex_ueg -0.1288595E-02 Ec_ueg -0.3021562E-03 Delta_ex -0.1614468E-02 Delta_ec 0.5257441E-03 Delta_et -0.3559539E-02 Pxc 0.4264664E+01 Qxc -0.3070824E+01 3,+1 69 3 -1 -0.450472 1.730824 1.652285 Rho 0.3708083E-01 |GRAD(Rho)| 0.4298325E-16 GRAD(Rho)x 0.2571751E-16 GRAD(Rho)y 0.3333456E-16 GRAD(Rho)z 0.8658900E-17 Laplacian 0.1494584E+00 (-1/4)Del**2(Rho)) -0.3736461E-01 Diamond 0.5177117E-01 Metallicity 0.1901116E+01 Ellipticity 0.6144736E-01 Gb(Abramov) 0.3674882E-01 Vb(Abramov) -0.3613302E-01 Hb(Abramov) 0.6157958E-03 Ex_ueg -0.9132389E-02 Ec_ueg -0.1714305E-02 Delta_ex -0.1150380E-01 Delta_ec 0.4612472E-02 Delta_et -0.4491857E-01 Pxc 0.5327167E+01 Qxc -0.2494063E+01 3,-1 70 3 +1 -1.046199 1.338963 2.154071 Rho 0.2126381E-01 |GRAD(Rho)| 0.1026092E-14 GRAD(Rho)x 0.6047991E-15 GRAD(Rho)y 0.6979063E-15 GRAD(Rho)z 0.4472254E-15 Laplacian 0.8119600E-01 (-1/4)Del**2(Rho)) -0.2029900E-01 Diamond 0.8399253E-02 Metallicity 0.1385098E+01 Ellipticity -0.3013476E+01 Gb(Abramov) 0.1821868E-01 Vb(Abramov) -0.1613837E-01 Hb(Abramov) 0.2080318E-02 Ex_ueg -0.4350841E-02 Ec_ueg -0.9025080E-03 Delta_ex -0.4823878E-02 Delta_ec 0.1353685E-02 Delta_et -0.1148799E-01 Pxc 0.4820833E+01 Qxc -0.3563515E+01 3,+1 71 3 -1 -0.800488 2.027357 2.969415 Rho 0.8992798E-01 |GRAD(Rho)| 0.3796126E-16 GRAD(Rho)x 0.1290878E-16 GRAD(Rho)y 0.2387278E-16 GRAD(Rho)z -0.2654262E-16 Laplacian 0.3549182E+00 (-1/4)Del**2(Rho)) -0.8872956E-01 Diamond 0.3859378E+00 Metallicity 0.3504636E+01 Ellipticity 0.1560351E-01 Gb(Abramov) 0.1109805E+00 Vb(Abramov) -0.1332315E+00 Hb(Abramov) -0.2225095E-01 Ex_ueg -0.2975625E-01 Ec_ueg -0.4719077E-02 Delta_ex -0.3370245E-01 Delta_ec 0.1004416E-01 Delta_et -0.1219993E+00 Pxc 0.6305523E+01 Qxc -0.3355429E+01 3,-1 72 3 +1 2.010521 -2.018741 2.072125 Rho 0.1196340E-01 |GRAD(Rho)| 0.6365698E-17 GRAD(Rho)x 0.1718368E-17 GRAD(Rho)y -0.4739270E-17 GRAD(Rho)z -0.3886983E-17 Laplacian 0.5525955E-01 (-1/4)Del**2(Rho)) -0.1381489E-01 Diamond 0.1948991E-02 Metallicity 0.7803631E+00 Ellipticity -0.1227372E+01 Gb(Abramov) 0.1100670E-01 Vb(Abramov) -0.8198505E-02 Hb(Abramov) 0.2808191E-02 Ex_ueg -0.2020805E-02 Ec_ueg -0.4578796E-03 Delta_ex -0.2639780E-02 Delta_ec 0.5846422E-03 Delta_et -0.4482653E-02 Pxc 0.4413399E+01 Qxc -0.4515205E+01 3,+1 73 3 +1 -0.104677 2.996102 0.132059 Rho 0.5238086E-02 |GRAD(Rho)| 0.2481454E-14 GRAD(Rho)x -0.1430042E-14 GRAD(Rho)y -0.2824856E-16 GRAD(Rho)z 0.2027756E-14 Laplacian 0.2135018E-01 (-1/4)Del**2(Rho)) -0.5337545E-02 Diamond 0.5752907E-03 Metallicity 0.5099168E+00 Ellipticity -0.8787883E+01 Gb(Abramov) 0.4011981E-02 Vb(Abramov) -0.2686416E-02 Hb(Abramov) 0.1325564E-02 Ex_ueg -0.6718648E-03 Ec_ueg -0.1571730E-03 Delta_ex -0.1110620E-02 Delta_ec 0.7428377E-03 Delta_et -0.4062595E-02 Pxc 0.4274684E+01 Qxc -0.1495105E+01 3,+1 74 3 +3 -1.832854 1.804468 1.870000 Rho 0.1148307E-01 |GRAD(Rho)| 0.1459402E-16 GRAD(Rho)x 0.3230771E-17 GRAD(Rho)y 0.1280948E-16 GRAD(Rho)z -0.6201986E-17 Laplacian 0.5119570E-01 (-1/4)Del**2(Rho)) -0.1279892E-01 Diamond 0.9936117E-03 Metallicity 0.7867014E+00 Ellipticity -0.5000003E+00 Gb(Abramov) 0.1021077E-01 Vb(Abramov) -0.7622619E-02 Hb(Abramov) 0.2588153E-02 Ex_ueg -0.1913357E-02 Ec_ueg -0.4357588E-03 Delta_ex -0.2200146E-02 Delta_ec 0.1515011E-03 Delta_et -0.1527065E-02 Pxc 0.4390862E+01 Qxc -0.1452231E+02 3,+3 75 3 +1 -1.330276 2.105135 1.072845 Rho 0.2435699E-01 |GRAD(Rho)| 0.1250124E-15 GRAD(Rho)x -0.9951855E-16 GRAD(Rho)y 0.4521926E-16 GRAD(Rho)z -0.6065792E-16 Laplacian 0.9725668E-01 (-1/4)Del**2(Rho)) -0.2431417E-01 Diamond 0.1307714E-01 Metallicity 0.1450106E+01 Ellipticity -0.4734594E+01 Gb(Abramov) 0.2208580E-01 Vb(Abramov) -0.1985743E-01 Hb(Abramov) 0.2228369E-02 Ex_ueg -0.5214547E-02 Ec_ueg -0.1056394E-02 Delta_ex -0.6097462E-02 Delta_ec 0.1812022E-02 Delta_et -0.1585281E-01 Pxc 0.4936174E+01 Qxc -0.3365005E+01 3,+1 76 3 -1 0.027564 -3.323393 -1.201020 Rho 0.3252803E-01 |GRAD(Rho)| 0.4821623E-16 GRAD(Rho)x 0.4327604E-16 GRAD(Rho)y -0.2029762E-16 GRAD(Rho)z 0.6324257E-17 Laplacian 0.1034498E+00 (-1/4)Del**2(Rho)) -0.2586245E-01 Diamond 0.4618124E-01 Metallicity 0.2207902E+01 Ellipticity 0.1021508E-01 Gb(Abramov) 0.2675859E-01 Vb(Abramov) -0.2765473E-01 Hb(Abramov) -0.8961408E-03 Ex_ueg -0.7668822E-02 Ec_ueg -0.1474728E-02 Delta_ex -0.8950825E-02 Delta_ec 0.5405137E-02 Delta_et -0.5074819E-01 Pxc 0.5200161E+01 Qxc -0.1655985E+01 3,-1 77 3 +1 0.532245 -1.605941 -1.673167 Rho 0.2912238E-02 |GRAD(Rho)| 0.6678890E-17 GRAD(Rho)x 0.6097896E-17 GRAD(Rho)y 0.2636390E-18 GRAD(Rho)z 0.2711776E-17 Laplacian 0.1124787E-01 (-1/4)Del**2(Rho)) -0.2811968E-02 Diamond 0.7481086E-04 Metallicity 0.3638488E+00 Ellipticity -0.1147312E+01 Gb(Abramov) 0.2045167E-02 Vb(Abramov) -0.1278366E-02 Hb(Abramov) 0.7668007E-03 Ex_ueg -0.3071526E-03 Ec_ueg -0.5820485E-04 Delta_ex -0.4064368E-03 Delta_ec 0.1763760E-03 Delta_et -0.8874066E-03 Pxc 0.5277097E+01 Qxc -0.2304377E+01 3,+1 78 3 -1 -0.093267 -3.235121 3.189117 Rho 0.2280017E+00 |GRAD(Rho)| 0.2461971E-12 GRAD(Rho)x 0.3979054E-13 GRAD(Rho)y 0.1652506E-12 GRAD(Rho)z -0.1781066E-12 Laplacian 0.8241366E+00 (-1/4)Del**2(Rho)) -0.2060342E+00 Diamond 0.2750535E+01 Metallicity 0.7115040E+01 Ellipticity 0.1693167E-02 Gb(Abramov) 0.3816797E+00 Vb(Abramov) -0.5573251E+00 Hb(Abramov) -0.1756455E+00 Ex_ueg -0.1028732E+00 Ec_ueg -0.1361365E-01 Delta_ex -0.9830984E-01 Delta_ec 0.1858575E-01 Delta_et -0.2573376E+00 Pxc 0.7556626E+01 Qxc -0.5289529E+01 3,-1 79 3 +1 1.156941 -1.184699 2.115806 Rho 0.2128225E-01 |GRAD(Rho)| 0.2346180E-16 GRAD(Rho)x -0.1406507E-16 GRAD(Rho)y -0.9561764E-17 GRAD(Rho)z 0.1616177E-16 Laplacian 0.8205915E-01 (-1/4)Del**2(Rho)) -0.2051479E-01 Diamond 0.9499061E-02 Metallicity 0.1372509E+01 Ellipticity -0.5866338E+01 Gb(Abramov) 0.1836931E-01 Vb(Abramov) -0.1622384E-01 Hb(Abramov) 0.2145473E-02 Ex_ueg -0.4355871E-02 Ec_ueg -0.9034171E-03 Delta_ex -0.5010942E-02 Delta_ec 0.1608508E-02 Delta_et -0.1357121E-01 Pxc 0.4821550E+01 Qxc -0.3115273E+01 3,+1 80 3 +1 -1.719267 -0.498901 0.591710 Rho 0.9007310E-02 |GRAD(Rho)| 0.1394686E-16 GRAD(Rho)x 0.4408406E-17 GRAD(Rho)y -0.2229331E-17 GRAD(Rho)z -0.1304266E-16 Laplacian 0.3784274E-01 (-1/4)Del**2(Rho)) -0.9460684E-02 Diamond 0.1191188E-02 Metallicity 0.7100504E+00 Ellipticity -0.1494815E+01 Gb(Abramov) 0.7426716E-02 Vb(Abramov) -0.5392749E-02 Hb(Abramov) 0.2033968E-02 Ex_ueg -0.1384135E-02 Ec_ueg -0.3232409E-03 Delta_ex -0.1796883E-02 Delta_ec 0.6176121E-03 Delta_et -0.4203675E-02 Pxc 0.4282055E+01 Qxc -0.2909404E+01 3,+1 81 3 -1 0.425788 -1.762811 1.653597 Rho 0.3844155E-01 |GRAD(Rho)| 0.1679918E-13 GRAD(Rho)x -0.1155740E-13 GRAD(Rho)y 0.8514481E-15 GRAD(Rho)z 0.1216198E-13 Laplacian 0.1553950E+00 (-1/4)Del**2(Rho)) -0.3884876E-01 Diamond 0.5649192E-01 Metallicity 0.1941679E+01 Ellipticity 0.2063141E-01 Gb(Abramov) 0.3847115E-01 Vb(Abramov) -0.3809353E-01 Hb(Abramov) 0.3776149E-03 Ex_ueg -0.9581928E-02 Ec_ueg -0.1786711E-02 Delta_ex -0.1206442E-01 Delta_ec 0.4790542E-02 Delta_et -0.4711457E-01 Pxc 0.5362887E+01 Qxc -0.2518383E+01 3,-1 82 3 +1 0.271616 -1.946359 -0.761144 Rho 0.5470199E-02 |GRAD(Rho)| 0.1582766E-14 GRAD(Rho)x 0.3856151E-15 GRAD(Rho)y 0.8364552E-15 GRAD(Rho)z 0.1287165E-14 Laplacian 0.2211484E-01 (-1/4)Del**2(Rho)) -0.5528709E-02 Diamond 0.5468963E-03 Metallicity 0.5291775E+00 Ellipticity -0.2440892E+01 Gb(Abramov) 0.4173417E-02 Vb(Abramov) -0.2818126E-02 Hb(Abramov) 0.1355292E-02 Ex_ueg -0.7118513E-03 Ec_ueg -0.1672032E-03 Delta_ex -0.1090001E-02 Delta_ec 0.6447989E-03 Delta_et -0.3618140E-02 Pxc 0.4257403E+01 Qxc -0.1690452E+01 3,+1 83 3 -1 0.835287 -3.001271 2.018595 Rho 0.1451955E+00 |GRAD(Rho)| 0.3689777E-14 GRAD(Rho)x -0.3068970E-15 GRAD(Rho)y -0.3113226E-14 GRAD(Rho)z 0.1956551E-14 Laplacian 0.5689290E+00 (-1/4)Del**2(Rho)) -0.1422323E+00 Diamond 0.1097603E+01 Metallicity 0.4858220E+01 Ellipticity 0.6750845E-01 Gb(Abramov) 0.2099874E+00 Vb(Abramov) -0.2777426E+00 Hb(Abramov) -0.6775519E-01 Ex_ueg -0.5636239E-01 Ec_ueg -0.8136672E-02 Delta_ex -0.6049600E-01 Delta_ec 0.1434514E-01 Delta_et -0.1896277E+00 Pxc 0.6926959E+01 Qxc -0.4217179E+01 3,-1 84 3 -1 1.319183 -2.184323 -2.156460 Rho 0.7578421E-02 |GRAD(Rho)| 0.1240399E-16 GRAD(Rho)x 0.2384398E-17 GRAD(Rho)y -0.1484849E-17 GRAD(Rho)z 0.1208176E-16 Laplacian 0.3116891E-01 (-1/4)Del**2(Rho)) -0.7792228E-02 Diamond 0.1695574E-02 Metallicity 0.6464319E+00 Ellipticity 0.4443462E+00 Gb(Abramov) 0.6034343E-02 Vb(Abramov) -0.4276457E-02 Hb(Abramov) 0.1757885E-02 Ex_ueg -0.1099402E-02 Ec_ueg -0.2595063E-03 Delta_ex -0.1909126E-02 Delta_ec 0.1384532E-02 Delta_et -0.8363260E-02 Pxc 0.4236515E+01 Qxc -0.1378897E+01 3,-1 85 3 +1 1.605542 -1.989066 -1.965316 Rho 0.7126669E-02 |GRAD(Rho)| 0.1564198E-16 GRAD(Rho)x -0.4663975E-17 GRAD(Rho)y 0.6470061E-17 GRAD(Rho)z -0.1345575E-16 Laplacian 0.3217472E-01 (-1/4)Del**2(Rho)) -0.8043681E-02 Diamond 0.1014778E-02 Metallicity 0.5652527E+00 Ellipticity -0.1793131E+01 Gb(Abramov) 0.6120239E-02 Vb(Abramov) -0.4196798E-02 Hb(Abramov) 0.1923441E-02 Ex_ueg -0.1012901E-02 Ec_ueg -0.2395496E-03 Delta_ex -0.1603644E-02 Delta_ec 0.8124854E-03 Delta_et -0.4982660E-02 Pxc 0.4228358E+01 Qxc -0.1973752E+01 3,+1 86 3 +1 0.547443 0.453039 1.671004 Rho 0.8100561E-02 |GRAD(Rho)| 0.8349426E-17 GRAD(Rho)x 0.5583750E-17 GRAD(Rho)y 0.5659073E-18 GRAD(Rho)z 0.6181779E-17 Laplacian 0.3375682E-01 (-1/4)Del**2(Rho)) -0.8439204E-02 Diamond 0.9044857E-03 Metallicity 0.6669760E+00 Ellipticity -0.1439365E+01 Gb(Abramov) 0.6564261E-02 Vb(Abramov) -0.4689317E-02 Hb(Abramov) 0.1874944E-02 Ex_ueg -0.1201541E-02 Ec_ueg -0.2826895E-03 Delta_ex -0.1554073E-02 Delta_ec 0.5375870E-03 Delta_et -0.3566446E-02 Pxc 0.4250390E+01 Qxc -0.2890830E+01 3,+1 87 3 -1 1.606382 -1.762240 0.400949 Rho 0.3882638E-01 |GRAD(Rho)| 0.4731124E-16 GRAD(Rho)x 0.3143403E-16 GRAD(Rho)y -0.3171461E-16 GRAD(Rho)z -0.1563453E-16 Laplacian 0.1536833E+00 (-1/4)Del**2(Rho)) -0.3842083E-01 Diamond 0.5710400E-01 Metallicity 0.1996172E+01 Ellipticity 0.1781100E-01 Gb(Abramov) 0.3839632E-01 Vb(Abramov) -0.3837180E-01 Hb(Abramov) 0.2451412E-04 Ex_ueg -0.9710038E-02 Ec_ueg -0.1807252E-02 Delta_ex -0.1198927E-01 Delta_ec 0.4788469E-02 Delta_et -0.4722701E-01 Pxc 0.5372819E+01 Qxc -0.2503779E+01 3,-1 88 3 +1 1.270840 -2.172895 1.055136 Rho 0.2430471E-01 |GRAD(Rho)| 0.1916864E-16 GRAD(Rho)x -0.1562077E-16 GRAD(Rho)y 0.8457492E-17 GRAD(Rho)z -0.7204100E-17 Laplacian 0.9663147E-01 (-1/4)Del**2(Rho)) -0.2415787E-01 Diamond 0.1289431E-01 Metallicity 0.1454271E+01 Ellipticity -0.4658654E+01 Gb(Abramov) 0.2196059E-01 Vb(Abramov) -0.1976331E-01 Hb(Abramov) 0.2197276E-02 Ex_ueg -0.5199628E-02 Ec_ueg -0.1053771E-02 Delta_ex -0.6048027E-02 Delta_ec 0.1788199E-02 Delta_et -0.1563866E-01 Pxc 0.4934304E+01 Qxc -0.3382190E+01 3,+1 89 3 +3 0.748206 -1.433941 -1.491630 Rho 0.2861945E-02 |GRAD(Rho)| 0.4443324E-17 GRAD(Rho)x 0.3123752E-17 GRAD(Rho)y -0.3006755E-17 GRAD(Rho)z -0.9719703E-18 Laplacian 0.1138592E-01 (-1/4)Del**2(Rho)) -0.2846479E-02 Diamond 0.5814768E-04 Metallicity 0.3491516E+00 Ellipticity -0.8121865E+00 Gb(Abramov) 0.2063295E-02 Vb(Abramov) -0.1280111E-02 Hb(Abramov) 0.7831843E-03 Ex_ueg -0.3001006E-03 Ec_ueg -0.5609678E-04 Delta_ex -0.3789259E-03 Delta_ec 0.1233276E-03 Delta_et -0.6635119E-03 Pxc 0.5349693E+01 Qxc -0.3072514E+01 3,+3 90 3 +3 1.789203 -1.818316 1.836308 Rho 0.1132255E-01 |GRAD(Rho)| 0.4671347E-13 GRAD(Rho)x -0.2980838E-13 GRAD(Rho)y 0.2066261E-13 GRAD(Rho)z -0.2943918E-13 Laplacian 0.5048862E-01 (-1/4)Del**2(Rho)) -0.1262215E-01 Diamond 0.9641418E-03 Metallicity 0.7792197E+00 Ellipticity -0.4209418E+00 Gb(Abramov) 0.1005401E-01 Vb(Abramov) -0.7485862E-02 Hb(Abramov) 0.2568146E-02 Ex_ueg -0.1877777E-02 Ec_ueg -0.4283864E-03 Delta_ex -0.2161779E-02 Delta_ec 0.1513310E-03 Delta_et -0.1517581E-02 Pxc 0.4383371E+01 Qxc -0.1428510E+02 3,+3 91 3 -1 2.724595 -1.840149 -0.626869 Rho 0.1369320E+00 |GRAD(Rho)| 0.9118280E-14 GRAD(Rho)x -0.1352739E-14 GRAD(Rho)y -0.7107609E-14 GRAD(Rho)z 0.5549326E-14 Laplacian 0.5540243E+00 (-1/4)Del**2(Rho)) -0.1385061E+00 Diamond 0.1001015E+01 Metallicity 0.4524728E+01 Ellipticity 0.1059276E-01 Gb(Abramov) 0.1967878E+00 Vb(Abramov) -0.2550695E+00 Hb(Abramov) -0.5828170E-01 Ex_ueg -0.5212646E-01 Ec_ueg -0.7612295E-02 Delta_ex -0.5812728E-01 Delta_ec 0.1426864E-01 Delta_et -0.1872060E+00 Pxc 0.6847667E+01 Qxc -0.4073780E+01 3,-1 92 3 -1 2.905497 -1.985669 0.796633 Rho 0.7884045E-01 |GRAD(Rho)| 0.8805719E-16 GRAD(Rho)x 0.3242188E-16 GRAD(Rho)y -0.3455386E-16 GRAD(Rho)z -0.7422211E-16 Laplacian 0.3157351E+00 (-1/4)Del**2(Rho)) -0.7893376E-01 Diamond 0.2930188E+00 Metallicity 0.3163774E+01 Ellipticity 0.3230521E-02 Gb(Abramov) 0.9424394E-01 Vb(Abramov) -0.1095541E+00 Hb(Abramov) -0.1531018E-01 Ex_ueg -0.2496800E-01 Ec_ueg -0.4062252E-02 Delta_ex -0.2910131E-01 Delta_ec 0.9195856E-02 Delta_et -0.1085577E+00 Pxc 0.6146346E+01 Qxc -0.3164612E+01 3,-1 93 3 +1 1.647028 -0.595581 -0.555279 Rho 0.8573497E-02 |GRAD(Rho)| 0.2476972E-16 GRAD(Rho)x 0.1457858E-16 GRAD(Rho)y -0.1970233E-16 GRAD(Rho)z 0.3580830E-17 Laplacian 0.3621905E-01 (-1/4)Del**2(Rho)) -0.9054763E-02 Diamond 0.1021335E-02 Metallicity 0.6832916E+00 Ellipticity -0.1418568E+01 Gb(Abramov) 0.7067683E-02 Vb(Abramov) -0.5080602E-02 Hb(Abramov) 0.1987080E-02 Ex_ueg -0.1295972E-02 Ec_ueg -0.3037945E-03 Delta_ex -0.1678733E-02 Delta_ec 0.5550065E-03 Delta_et -0.3753561E-02 Pxc 0.4265951E+01 Qxc -0.3024709E+01 3,+1 94 3 +1 2.081224 -1.364478 1.018567 Rho 0.2171035E-01 |GRAD(Rho)| 0.2074771E-16 GRAD(Rho)x -0.2062505E-16 GRAD(Rho)y -0.1852148E-18 GRAD(Rho)z -0.2245131E-17 Laplacian 0.8399527E-01 (-1/4)Del**2(Rho)) -0.2099882E-01 Diamond 0.9209188E-02 Metallicity 0.1386127E+01 Ellipticity -0.3294456E+01 Gb(Abramov) 0.1885038E-01 Vb(Abramov) -0.1670195E-01 Hb(Abramov) 0.2148435E-02 Ex_ueg -0.4473088E-02 Ec_ueg -0.9245559E-03 Delta_ex -0.5052943E-02 Delta_ec 0.1463183E-02 Delta_et -0.1246081E-01 Pxc 0.4838094E+01 Qxc -0.3453392E+01 3,+1 95 3 +1 2.949987 -0.045838 0.099012 Rho 0.4485157E-02 |GRAD(Rho)| 0.1536784E-14 GRAD(Rho)x 0.1150829E-15 GRAD(Rho)y -0.8376830E-15 GRAD(Rho)z 0.1283256E-14 Laplacian 0.1812468E-01 (-1/4)Del**2(Rho)) -0.4531169E-02 Diamond 0.3950415E-03 Metallicity 0.4637733E+00 Ellipticity -0.4476453E+01 Gb(Abramov) 0.3371019E-02 Vb(Abramov) -0.2210868E-02 Hb(Abramov) 0.1160150E-02 Ex_ueg -0.5462884E-03 Ec_ueg -0.1248247E-03 Delta_ex -0.9145823E-03 Delta_ec 0.6278353E-03 Delta_et -0.3276750E-02 Pxc 0.4376443E+01 Qxc -0.1456723E+01 3,+1 96 3 -1 3.139268 0.020232 3.245419 Rho 0.2272631E+00 |GRAD(Rho)| 0.4872131E-15 GRAD(Rho)x -0.4803558E-15 GRAD(Rho)y -0.5930586E-16 GRAD(Rho)z -0.5583641E-16 Laplacian 0.8112358E+00 (-1/4)Del**2(Rho)) -0.2028090E+00 Diamond 0.2705005E+01 Metallicity 0.7189206E+01 Ellipticity 0.5707197E-02 Gb(Abramov) 0.3782119E+00 Vb(Abramov) -0.5536148E+00 Hb(Abramov) -0.1754029E+00 Ex_ueg -0.1024292E+00 Ec_ueg -0.1356309E-01 Delta_ex -0.9673574E-01 Delta_ec 0.1839446E-01 Delta_et -0.2549855E+00 Pxc 0.7552050E+01 Qxc -0.5258961E+01 3,-1 97 3 -1 3.167015 -0.123631 -3.251274 Rho 0.2211840E+00 |GRAD(Rho)| 0.1168117E-14 GRAD(Rho)x -0.9877624E-15 GRAD(Rho)y 0.3991897E-16 GRAD(Rho)z 0.6222778E-15 Laplacian 0.8021950E+00 (-1/4)Del**2(Rho)) -0.2005488E+00 Diamond 0.2583002E+01 Metallicity 0.6949005E+01 Ellipticity 0.1558316E-01 Gb(Abramov) 0.3659682E+00 Vb(Abramov) -0.5313877E+00 Hb(Abramov) -0.1654195E+00 Ex_ueg -0.9879234E-01 Ec_ueg -0.1314812E-01 Delta_ex -0.9495329E-01 Delta_ec 0.1826718E-01 Delta_et -0.2525867E+00 Pxc 0.7513799E+01 Qxc -0.5198026E+01 3,-1 98 3 -1 2.951363 0.774507 -2.043114 Rho 0.6521521E-01 |GRAD(Rho)| 0.9009508E-16 GRAD(Rho)x 0.1582003E-16 GRAD(Rho)y 0.5428041E-16 GRAD(Rho)z 0.7014619E-16 Laplacian 0.2657305E+00 (-1/4)Del**2(Rho)) -0.6643262E-01 Diamond 0.1956457E+00 Metallicity 0.2740017E+01 Ellipticity 0.2094308E-02 Gb(Abramov) 0.7462617E-01 Vb(Abramov) -0.8281971E-01 Hb(Abramov) -0.8193544E-02 Ex_ueg -0.1938728E-01 Ec_ueg -0.3271740E-02 Delta_ex -0.2347195E-01 Delta_ec 0.8027929E-02 Delta_et -0.9066215E-01 Pxc 0.5925680E+01 Qxc -0.2923787E+01 3,-1 99 3 -1 2.756189 0.559509 1.863429 Rho 0.1095528E+00 |GRAD(Rho)| 0.1695594E-15 GRAD(Rho)x 0.1678311E-16 GRAD(Rho)y 0.4090153E-16 GRAD(Rho)z 0.1636942E-15 Laplacian 0.4589661E+00 (-1/4)Del**2(Rho)) -0.1147415E+00 Diamond 0.6356749E+00 Metallicity 0.3765922E+01 Ellipticity 0.1113110E-01 Gb(Abramov) 0.1485123E+00 Vb(Abramov) -0.1822831E+00 Hb(Abramov) -0.3377077E-01 Ex_ueg -0.3871532E-01 Ec_ueg -0.5907271E-02 Delta_ex -0.4567095E-01 Delta_ec 0.1249896E-01 Delta_et -0.1579590E+00 Pxc 0.6553841E+01 Qxc -0.3653981E+01 3,-1 100 3 +1 -2.207539 -1.150074 -1.306857 Rho 0.2615653E-01 |GRAD(Rho)| 0.2009132E-15 GRAD(Rho)x -0.1385566E-15 GRAD(Rho)y 0.2167901E-16 GRAD(Rho)z -0.1438687E-15 Laplacian 0.1077345E+00 (-1/4)Del**2(Rho)) -0.2693362E-01 Diamond 0.1652975E-01 Metallicity 0.1474208E+01 Ellipticity -0.6281763E+01 Gb(Abramov) 0.2457338E-01 Vb(Abramov) -0.2221313E-01 Hb(Abramov) 0.2360248E-02 Ex_ueg -0.5734453E-02 Ec_ueg -0.1147118E-02 Delta_ex -0.6938900E-02 Delta_ec 0.2108220E-02 Delta_et -0.1876009E-01 Pxc 0.4999007E+01 Qxc -0.3291355E+01 3,+1 101 3 +1 -1.744629 0.550028 -0.514451 Rho 0.9028711E-02 |GRAD(Rho)| 0.1028247E-16 GRAD(Rho)x -0.6439577E-17 GRAD(Rho)y -0.4576650E-18 GRAD(Rho)z -0.8003218E-17 Laplacian 0.3765435E-01 (-1/4)Del**2(Rho)) -0.9413587E-02 Diamond 0.1166007E-02 Metallicity 0.7164309E+00 Ellipticity -0.1481306E+01 Gb(Abramov) 0.7399756E-02 Vb(Abramov) -0.5385924E-02 Hb(Abramov) 0.2013832E-02 Ex_ueg -0.1388522E-02 Ec_ueg -0.3242024E-03 Delta_ex -0.1779240E-02 Delta_ec 0.5971325E-03 Delta_et -0.4078852E-02 Pxc 0.4282886E+01 Qxc -0.2979640E+01 3,+1 102 3 +1 1.678243 0.498013 0.564092 Rho 0.6915016E-02 |GRAD(Rho)| 0.4407427E-15 GRAD(Rho)x -0.2029657E-15 GRAD(Rho)y 0.9477765E-16 GRAD(Rho)z -0.3795737E-15 Laplacian 0.2799312E-01 (-1/4)Del**2(Rho)) -0.6998280E-02 Diamond 0.6267894E-03 Metallicity 0.6178511E+00 Ellipticity -0.1446894E+01 Gb(Abramov) 0.5386169E-02 Vb(Abramov) -0.3774058E-02 Hb(Abramov) 0.1612111E-02 Ex_ueg -0.9729920E-03 Ec_ueg -0.2302323E-03 Delta_ex -0.1253015E-02 Delta_ec 0.4692336E-03 Delta_et -0.2966378E-02 Pxc 0.4226132E+01 Qxc -0.2670344E+01 3,+1 103 3 -1 -3.145220 -0.029889 3.292670 Rho 0.2277164E+00 |GRAD(Rho)| 0.6119329E-15 GRAD(Rho)x -0.5615083E-15 GRAD(Rho)y -0.1815225E-15 GRAD(Rho)z 0.1619256E-15 Laplacian 0.8204776E+00 (-1/4)Del**2(Rho)) -0.2051194E+00 Diamond 0.2736723E+01 Metallicity 0.7131873E+01 Ellipticity 0.4620669E-03 Gb(Abramov) 0.3805605E+00 Vb(Abramov) -0.5560016E+00 Hb(Abramov) -0.1754411E+00 Ex_ueg -0.1027017E+00 Ec_ueg -0.1359412E-01 Delta_ex -0.9785598E-01 Delta_ec 0.1853562E-01 Delta_et -0.2567331E+00 Pxc 0.7554860E+01 Qxc -0.5279346E+01 3,-1 104 3 -1 -3.164875 0.030693 -3.232322 Rho 0.2202446E+00 |GRAD(Rho)| 0.3291545E-10 GRAD(Rho)x -0.2544619E-10 GRAD(Rho)y 0.1062941E-10 GRAD(Rho)z -0.1797037E-10 Laplacian 0.8114310E+00 (-1/4)Del**2(Rho)) -0.2028577E+00 Diamond 0.2591277E+01 Metallicity 0.6821350E+01 Ellipticity 0.1996898E-01 Gb(Abramov) 0.3658658E+00 Vb(Abramov) -0.5288738E+00 Hb(Abramov) -0.1630080E+00 Ex_ueg -0.9823330E-01 Ec_ueg -0.1308418E-01 Delta_ex -0.9589247E-01 Delta_ec 0.1841331E-01 Delta_et -0.2542040E+00 Pxc 0.7507792E+01 Qxc -0.5207780E+01 3,-1 105 3 -1 -2.751767 0.479654 -1.877864 Rho 0.6331969E-01 |GRAD(Rho)| 0.6588019E-16 GRAD(Rho)x -0.4266081E-17 GRAD(Rho)y 0.2979777E-16 GRAD(Rho)z 0.5860113E-16 Laplacian 0.2664710E+00 (-1/4)Del**2(Rho)) -0.6661775E-01 Diamond 0.1911415E+00 Metallicity 0.2601325E+01 Ellipticity 0.7972947E-02 Gb(Abramov) 0.7329423E-01 Vb(Abramov) -0.7997072E-01 Hb(Abramov) -0.6676484E-02 Ex_ueg -0.1863961E-01 Ec_ueg -0.3163388E-02 Delta_ex -0.2344430E-01 Delta_ec 0.8201567E-02 Delta_et -0.9201499E-01 Pxc 0.5892294E+01 Qxc -0.2858514E+01 3,-1 106 3 +1 -2.912861 -0.193452 -0.187313 Rho 0.4938353E-02 |GRAD(Rho)| 0.3899863E-13 GRAD(Rho)x 0.4155829E-14 GRAD(Rho)y -0.3872656E-13 GRAD(Rho)z 0.1968580E-14 Laplacian 0.2035722E-01 (-1/4)Del**2(Rho)) -0.5089305E-02 Diamond 0.4205770E-03 Metallicity 0.4847653E+00 Ellipticity -0.2006138E+01 Gb(Abramov) 0.3804056E-02 Vb(Abramov) -0.2518808E-02 Hb(Abramov) 0.1285249E-02 Ex_ueg -0.6210995E-03 Ec_ueg -0.1442608E-03 Delta_ex -0.9660103E-03 Delta_ec 0.5629877E-03 Delta_et -0.3077721E-02 Pxc 0.4305393E+01 Qxc -0.1715864E+01 3,+1 107 3 -1 -2.966845 0.838406 2.068686 Rho 0.1382554E+00 |GRAD(Rho)| 0.1301668E-12 GRAD(Rho)x 0.4165813E-13 GRAD(Rho)y -0.8363774E-13 GRAD(Rho)z 0.9062410E-13 Laplacian 0.5417118E+00 (-1/4)Del**2(Rho)) -0.1354280E+00 Diamond 0.9880178E+00 Metallicity 0.4702351E+01 Ellipticity 0.5382533E-01 Gb(Abramov) 0.1964236E+00 Vb(Abramov) -0.2574192E+00 Hb(Abramov) -0.6099564E-01 Ex_ueg -0.5279926E-01 Ec_ueg -0.7695983E-02 Delta_ex -0.5694506E-01 Delta_ec 0.1387677E-01 Delta_et -0.1822439E+00 Pxc 0.6860626E+01 Qxc -0.4103624E+01 3,-1 108 3 -1 -1.665906 0.518772 1.748262 Rho 0.3583173E-01 |GRAD(Rho)| 0.1273842E-15 GRAD(Rho)x 0.5921036E-16 GRAD(Rho)y 0.3452347E-16 GRAD(Rho)z -0.1073732E-15 Laplacian 0.1439322E+00 (-1/4)Del**2(Rho)) -0.3598304E-01 Diamond 0.4741426E-01 Metallicity 0.1864525E+01 Ellipticity 0.1264144E-01 Gb(Abramov) 0.3517058E-01 Vb(Abramov) -0.3435811E-01 Hb(Abramov) 0.8124661E-03 Ex_ueg -0.8724532E-02 Ec_ueg -0.1648155E-02 Delta_ex -0.1097446E-01 Delta_ec 0.4421915E-02 Delta_et -0.4265854E-01 Pxc 0.5293513E+01 Qxc -0.2481834E+01 3,-1 109 3 +3 -0.150545 -0.444209 -2.576700 Rho 0.3038231E-02 |GRAD(Rho)| 0.3378114E-17 GRAD(Rho)x -0.2113877E-18 GRAD(Rho)y 0.2274336E-17 GRAD(Rho)z -0.2488847E-17 Laplacian 0.1221272E-01 (-1/4)Del**2(Rho)) -0.3053180E-02 Diamond 0.8831284E-04 Metallicity 0.3596130E+00 Ellipticity -0.7854758E+00 Gb(Abramov) 0.2218448E-02 Vb(Abramov) -0.1383715E-02 Hb(Abramov) 0.8347330E-03 Ex_ueg -0.3249971E-03 Ec_ueg -0.6349208E-04 Delta_ex -0.4496390E-03 Delta_ec 0.1989847E-03 Delta_et -0.1006806E-02 Pxc 0.5118703E+01 Qxc -0.2259666E+01 3,+3 110 3 +1 -0.206800 -0.392920 -3.143595 Rho 0.3412294E-02 |GRAD(Rho)| 0.6668094E-14 GRAD(Rho)x -0.5955032E-14 GRAD(Rho)y -0.2685622E-14 GRAD(Rho)z -0.1337351E-14 Laplacian 0.1370562E-01 (-1/4)Del**2(Rho)) -0.3426405E-02 Diamond 0.1732092E-03 Metallicity 0.3888587E+00 Ellipticity -0.1646322E+01 Gb(Abramov) 0.2506335E-02 Vb(Abramov) -0.1586264E-02 Hb(Abramov) 0.9200705E-03 Ex_ueg -0.3794142E-03 Ec_ueg -0.7924053E-04 Delta_ex -0.6063306E-03 Delta_ec 0.3815145E-03 Delta_et -0.1867256E-02 Pxc 0.4788133E+01 Qxc -0.1589273E+01 3,+1 111 3 +3 -1.132605 -1.138065 1.152686 Rho 0.4787301E-02 |GRAD(Rho)| 0.2317374E-13 GRAD(Rho)x 0.1933595E-13 GRAD(Rho)y -0.9387468E-14 GRAD(Rho)z 0.8661325E-14 Laplacian 0.1966717E-01 (-1/4)Del**2(Rho)) -0.4916792E-02 Diamond 0.1426473E-03 Metallicity 0.4764557E+00 Ellipticity -0.2789972E+00 Gb(Abramov) 0.3668300E-02 Vb(Abramov) -0.2419808E-02 Hb(Abramov) 0.1248492E-02 Ex_ueg -0.5958990E-03 Ec_ueg -0.1377710E-03 Delta_ex -0.6843768E-03 Delta_ec 0.1098983E-03 Delta_et -0.7959871E-03 Pxc 0.4325287E+01 Qxc -0.6227365E+01 3,+3 112 3 +1 -1.774466 -1.781142 1.808350 Rho 0.1188814E-01 |GRAD(Rho)| 0.7193559E-16 GRAD(Rho)x -0.2047887E-16 GRAD(Rho)y -0.3895616E-16 GRAD(Rho)z -0.5690134E-16 Laplacian 0.5856292E-01 (-1/4)Del**2(Rho)) -0.1464073E-01 Diamond 0.2303839E-02 Metallicity 0.7286409E+00 Ellipticity -0.1260956E+01 Gb(Abramov) 0.1153846E-01 Vb(Abramov) -0.8436188E-02 Hb(Abramov) 0.3102271E-02 Ex_ueg -0.2003873E-02 Ec_ueg -0.4544076E-03 Delta_ex -0.2867768E-02 Delta_ec 0.7534370E-03 Delta_et -0.5641771E-02 Pxc 0.4409859E+01 Qxc -0.3806248E+01 3,+1 113 3 -1 -2.056215 -0.916678 -3.269165 Rho 0.2234191E+00 |GRAD(Rho)| 0.2768270E-13 GRAD(Rho)x -0.1184602E-13 GRAD(Rho)y 0.1937664E-13 GRAD(Rho)z 0.1582876E-13 Laplacian 0.8476243E+00 (-1/4)Del**2(Rho)) -0.2119061E+00 Diamond 0.2725034E+01 Metallicity 0.6687705E+01 Ellipticity 0.1327560E-01 Gb(Abramov) 0.3774649E+00 Vb(Abramov) -0.5430238E+00 Hb(Abramov) -0.1655588E+00 Ex_ueg -0.1001257E+00 Ec_ueg -0.1330046E-01 Delta_ex -0.1003725E+00 Delta_ec 0.1885475E-01 Delta_et -0.2592924E+00 Pxc 0.7527987E+01 Qxc -0.5323458E+01 3,-1 114 3 +1 -0.583961 0.502708 -1.693218 Rho 0.9209401E-02 |GRAD(Rho)| 0.3558753E-15 GRAD(Rho)x -0.2776673E-15 GRAD(Rho)y -0.5276953E-16 GRAD(Rho)z -0.2162487E-15 Laplacian 0.3914692E-01 (-1/4)Del**2(Rho)) -0.9786730E-02 Diamond 0.1236754E-02 Metallicity 0.7122534E+00 Ellipticity -0.1458575E+01 Gb(Abramov) 0.7686259E-02 Vb(Abramov) -0.5585787E-02 Hb(Abramov) 0.2100471E-02 Ex_ueg -0.1425696E-02 Ec_ueg -0.3323282E-03 Delta_ex -0.1855373E-02 Delta_ec 0.6144688E-03 Delta_et -0.4223744E-02 Pxc 0.4290024E+01 Qxc -0.3019475E+01 3,+1 115 3 -1 -1.790708 -0.549625 2.853460 Rho 0.1381989E+00 |GRAD(Rho)| 0.5816557E-15 GRAD(Rho)x 0.5038152E-15 GRAD(Rho)y -0.2878557E-15 GRAD(Rho)z 0.4040686E-16 Laplacian 0.5740049E+00 (-1/4)Del**2(Rho)) -0.1435012E+00 Diamond 0.1042013E+01 Metallicity 0.4434776E+01 Ellipticity 0.2721344E-01 Gb(Abramov) 0.2017334E+00 Vb(Abramov) -0.2599657E+00 Hb(Abramov) -0.5823223E-01 Ex_ueg -0.5277048E-01 Ec_ueg -0.7692406E-02 Delta_ex -0.6028494E-01 Delta_ec 0.1461841E-01 Delta_et -0.1917921E+00 Pxc 0.6860075E+01 Qxc -0.4123907E+01 3,-1 116 3 -1 -1.705115 -0.562723 -1.782052 Rho 0.4609655E-01 |GRAD(Rho)| 0.5379151E-16 GRAD(Rho)x 0.3345060E-16 GRAD(Rho)y -0.2687424E-16 GRAD(Rho)z 0.3244009E-16 Laplacian 0.1866993E+00 (-1/4)Del**2(Rho)) -0.4667483E-01 Diamond 0.8849826E-01 Metallicity 0.2187348E+01 Ellipticity 0.8418704E-02 Gb(Abramov) 0.4813224E-01 Vb(Abramov) -0.4958964E-01 Hb(Abramov) -0.1457404E-02 Ex_ueg -0.1220702E-01 Ec_ueg -0.2200270E-02 Delta_ex -0.1523771E-01 Delta_ec 0.5888397E-02 Delta_et -0.6085007E-01 Pxc 0.5547966E+01 Qxc -0.2587752E+01 3,-1 117 3 -1 -2.741382 -0.537813 1.884644 Rho 0.1011432E+00 |GRAD(Rho)| 0.4392059E-13 GRAD(Rho)x 0.1048323E-13 GRAD(Rho)y -0.4264289E-13 GRAD(Rho)z -0.8389421E-15 Laplacian 0.4158165E+00 (-1/4)Del**2(Rho)) -0.1039541E+00 Diamond 0.5222492E+00 Metallicity 0.3638643E+01 Ellipticity 0.9348598E-02 Gb(Abramov) 0.1323447E+00 Vb(Abramov) -0.1607354E+00 Hb(Abramov) -0.2839062E-01 Ex_ueg -0.3480440E-01 Ec_ueg -0.5394357E-02 Delta_ex -0.4059536E-01 Delta_ec 0.1150424E-01 Delta_et -0.1431509E+00 Pxc 0.6452002E+01 Qxc -0.3528730E+01 3,-1 118 3 -1 -1.761801 0.481549 -2.847268 Rho 0.1320248E+00 |GRAD(Rho)| 0.2280081E-15 GRAD(Rho)x -0.1301043E-15 GRAD(Rho)y -0.1784055E-15 GRAD(Rho)z 0.5685116E-16 Laplacian 0.5424682E+00 (-1/4)Del**2(Rho)) -0.1356170E+00 Diamond 0.9417073E+00 Metallicity 0.4348418E+01 Ellipticity 0.1700150E-01 Gb(Abramov) 0.1886980E+00 Vb(Abramov) -0.2417789E+00 Hb(Abramov) -0.5308092E-01 Ex_ueg -0.4965073E-01 Ec_ueg -0.7302972E-02 Delta_ex -0.5645590E-01 Delta_ec 0.1417113E-01 Delta_et -0.1850215E+00 Pxc 0.6798702E+01 Qxc -0.3983866E+01 3,-1 119 3 +3 -2.411846 0.039679 0.064528 Rho 0.4509317E-02 |GRAD(Rho)| 0.5306535E-15 GRAD(Rho)x 0.2936012E-15 GRAD(Rho)y -0.2792665E-15 GRAD(Rho)z -0.3426393E-15 Laplacian 0.1887698E-01 (-1/4)Del**2(Rho)) -0.4719245E-02 Diamond 0.1821467E-03 Metallicity 0.4492953E+00 Ellipticity -0.3429498E+00 Gb(Abramov) 0.3499552E-02 Vb(Abramov) -0.2279860E-02 Hb(Abramov) 0.1219693E-02 Ex_ueg -0.5502154E-03 Ec_ueg -0.1258582E-03 Delta_ex -0.7059579E-03 Delta_ec 0.2119630E-03 Delta_et -0.1272125E-02 Pxc 0.4371709E+01 Qxc -0.3330572E+01 3,+3 120 3 +3 -1.164345 1.111990 -1.122147 Rho 0.4936158E-02 |GRAD(Rho)| 0.9865859E-15 GRAD(Rho)x -0.4448366E-15 GRAD(Rho)y -0.6825380E-15 GRAD(Rho)z -0.5564296E-15 Laplacian 0.2023147E-01 (-1/4)Del**2(Rho)) -0.5057868E-02 Diamond 0.1467426E-03 Metallicity 0.4874171E+00 Ellipticity -0.2051026E+00 Gb(Abramov) 0.3782794E-02 Vb(Abramov) -0.2507720E-02 Hb(Abramov) 0.1275074E-02 Ex_ueg -0.6207315E-03 Ec_ueg -0.1441665E-03 Delta_ex -0.7039807E-03 Delta_ec 0.1024863E-03 Delta_et -0.7708788E-03 Pxc 0.4305659E+01 Qxc -0.6869019E+01 3,+3 121 3 -1 -1.718202 1.649953 0.472641 Rho 0.3902807E-01 |GRAD(Rho)| 0.6581647E-16 GRAD(Rho)x 0.3203627E-16 GRAD(Rho)y -0.4762273E-16 GRAD(Rho)z 0.3221118E-16 Laplacian 0.1560912E+00 (-1/4)Del**2(Rho)) -0.3902280E-01 Diamond 0.5782731E-01 Metallicity 0.1982424E+01 Ellipticity 0.1624645E-01 Gb(Abramov) 0.3890849E-01 Vb(Abramov) -0.3879418E-01 Hb(Abramov) 0.1143084E-03 Ex_ueg -0.9777351E-02 Ec_ueg -0.1818029E-02 Delta_ex -0.1215772E-01 Delta_ec 0.4801115E-02 Delta_et -0.4741293E-01 Pxc 0.5377996E+01 Qxc -0.2532270E+01 3,-1 122 3 +3 0.082181 2.315482 -0.020820 Rho 0.4140811E-02 |GRAD(Rho)| 0.9758108E-17 GRAD(Rho)x -0.7712867E-17 GRAD(Rho)y 0.4936984E-17 GRAD(Rho)z -0.3370244E-17 Laplacian 0.1707581E-01 (-1/4)Del**2(Rho)) -0.4268952E-02 Diamond 0.1253543E-03 Metallicity 0.4308978E+00 Ellipticity -0.3544085E+00 Gb(Abramov) 0.3152548E-02 Vb(Abramov) -0.2036145E-02 Hb(Abramov) 0.1116404E-02 Ex_ueg -0.4910951E-03 Ec_ueg -0.1101279E-03 Delta_ex -0.5997062E-03 Delta_ec 0.1460083E-03 Delta_et -0.9101840E-03 Pxc 0.4459318E+01 Qxc -0.4107343E+01 3,+3 123 3 +1 2.148560 0.978589 -1.399991 Rho 0.1910220E-01 |GRAD(Rho)| 0.4658393E-16 GRAD(Rho)x -0.1779535E-16 GRAD(Rho)y -0.3291929E-16 GRAD(Rho)z -0.2774362E-16 Laplacian 0.7179212E-01 (-1/4)Del**2(Rho)) -0.1794803E-01 Diamond 0.6220723E-02 Metallicity 0.1310213E+01 Ellipticity -0.2540985E+01 Gb(Abramov) 0.1588464E-01 Vb(Abramov) -0.1382126E-01 Hb(Abramov) 0.2063386E-02 Ex_ueg -0.3771344E-02 Ec_ueg -0.7966187E-03 Delta_ex -0.4116924E-02 Delta_ec 0.1144611E-02 Delta_et -0.9477302E-02 Pxc 0.4734190E+01 Qxc -0.3596788E+01 3,+1 124 3 +1 0.132839 3.016156 -0.101037 Rho 0.5209553E-02 |GRAD(Rho)| 0.8592559E-17 GRAD(Rho)x 0.5071652E-17 GRAD(Rho)y 0.8259913E-18 GRAD(Rho)z 0.6886810E-17 Laplacian 0.2135774E-01 (-1/4)Del**2(Rho)) -0.5339436E-02 Diamond 0.5362117E-03 Metallicity 0.5051169E+00 Ellipticity -0.3263616E+01 Gb(Abramov) 0.4009131E-02 Vb(Abramov) -0.2678825E-02 Hb(Abramov) 0.1330306E-02 Ex_ueg -0.6669895E-03 Ec_ueg -0.1559418E-03 Delta_ex -0.1079044E-02 Delta_ec 0.6880500E-03 Delta_et -0.3776785E-02 Pxc 0.4277168E+01 Qxc -0.1568264E+01 3,+1 125 3 -1 -0.557503 1.802124 -2.733459 Rho 0.1294013E+00 |GRAD(Rho)| 0.1220048E-14 GRAD(Rho)x 0.7011264E-15 GRAD(Rho)y 0.9944844E-15 GRAD(Rho)z 0.8909770E-16 Laplacian 0.5473409E+00 (-1/4)Del**2(Rho)) -0.1368352E+00 Diamond 0.9165529E+00 Metallicity 0.4167921E+01 Ellipticity 0.1972574E-01 Gb(Abramov) 0.1862766E+00 Vb(Abramov) -0.2357179E+00 Hb(Abramov) -0.4944133E-01 Ex_ueg -0.4833961E-01 Ec_ueg -0.7138248E-02 Delta_ex -0.5655463E-01 Delta_ec 0.1412968E-01 Delta_et -0.1834442E+00 Pxc 0.6771915E+01 Qxc -0.4002542E+01 3,-1 126 3 -1 -0.205442 -1.326428 -3.495883 Rho 0.6204342E-02 |GRAD(Rho)| 0.1436820E-16 GRAD(Rho)x -0.1405060E-16 GRAD(Rho)y 0.1064403E-17 GRAD(Rho)z -0.2809449E-17 Laplacian 0.2540795E-01 (-1/4)Del**2(Rho)) -0.6351987E-02 Diamond 0.1222319E-02 Metallicity 0.5681589E+00 Ellipticity 0.1179549E+00 Gb(Abramov) 0.4836148E-02 Vb(Abramov) -0.3320308E-02 Hb(Abramov) 0.1515839E-02 Ex_ueg -0.8420013E-03 Ec_ueg -0.1991031E-03 Delta_ex -0.1617450E-02 Delta_ec 0.1334966E-02 Delta_et -0.7524532E-02 Pxc 0.4228970E+01 Qxc -0.1211604E+01 3,-1 127 3 +3 0.007256 -0.058700 2.311541 Rho 0.4319991E-02 |GRAD(Rho)| 0.7763588E-16 GRAD(Rho)x -0.2918427E-16 GRAD(Rho)y 0.3976984E-16 GRAD(Rho)z -0.5994971E-16 Laplacian 0.1787359E-01 (-1/4)Del**2(Rho)) -0.4468396E-02 Diamond 0.1425945E-03 Metallicity 0.4417802E+00 Ellipticity -0.3689858E+00 Gb(Abramov) 0.3307939E-02 Vb(Abramov) -0.2147482E-02 Hb(Abramov) 0.1160457E-02 Ex_ueg -0.5196316E-03 Ec_ueg -0.1177676E-03 Delta_ex -0.6386651E-03 Delta_ec 0.1601242E-03 Delta_et -0.9972125E-03 Pxc 0.4412346E+01 Qxc -0.3988560E+01 3,+3 128 3 +1 0.093492 -0.126151 2.974274 Rho 0.5257050E-02 |GRAD(Rho)| 0.8163198E-17 GRAD(Rho)x 0.1299347E-17 GRAD(Rho)y 0.8035995E-17 GRAD(Rho)z 0.6101508E-18 Laplacian 0.2164255E-01 (-1/4)Del**2(Rho)) -0.5410637E-02 Diamond 0.5498983E-03 Metallicity 0.5060673E+00 Ellipticity -0.3377973E+01 Gb(Abramov) 0.4063449E-02 Vb(Abramov) -0.2716261E-02 Hb(Abramov) 0.1347188E-02 Ex_ueg -0.6751100E-03 Ec_ueg -0.1579914E-03 Delta_ex -0.1095230E-02 Delta_ec 0.6970164E-03 Delta_et -0.3836541E-02 Pxc 0.4273080E+01 Qxc -0.1571312E+01 3,+1 129 3 +1 -0.270978 -1.022425 -2.579528 Rho 0.3314040E-02 |GRAD(Rho)| 0.5506469E-17 GRAD(Rho)x 0.4566619E-17 GRAD(Rho)y -0.3161550E-18 GRAD(Rho)z -0.3060595E-17 Laplacian 0.1329072E-01 (-1/4)Del**2(Rho)) -0.3322680E-02 Diamond 0.1311008E-03 Metallicity 0.3819393E+00 Ellipticity -0.1334651E+01 Gb(Abramov) 0.2426630E-02 Vb(Abramov) -0.1530580E-02 Hb(Abramov) 0.8960496E-03 Ex_ueg -0.3649181E-03 Ec_ueg -0.7509658E-04 Delta_ex -0.5358697E-03 Delta_ec 0.2827351E-03 Delta_et -0.1412676E-02 Pxc 0.4859317E+01 Qxc -0.1895306E+01 3,+1 130 3 +1 -0.575500 -0.556832 1.700906 Rho 0.8031558E-02 |GRAD(Rho)| 0.7621189E-17 GRAD(Rho)x -0.5503502E-17 GRAD(Rho)y -0.2000493E-17 GRAD(Rho)z 0.4877705E-17 Laplacian 0.3323033E-01 (-1/4)Del**2(Rho)) -0.8307583E-02 Diamond 0.8691355E-03 Metallicity 0.6679513E+00 Ellipticity -0.1429464E+01 Gb(Abramov) 0.6463232E-02 Vb(Abramov) -0.4618882E-02 Hb(Abramov) 0.1844351E-02 Ex_ueg -0.1187913E-02 Ec_ueg -0.2796187E-03 Delta_ex -0.1521214E-02 Delta_ec 0.5195536E-03 Delta_et -0.3446041E-02 Pxc 0.4248334E+01 Qxc -0.2927926E+01 3,+1 131 3 -1 0.289760 -0.425343 0.317302 Rho 0.1974671E+00 |GRAD(Rho)| 0.4391811E-15 GRAD(Rho)x 0.2771823E-15 GRAD(Rho)y -0.3201021E-15 GRAD(Rho)z 0.1165531E-15 Laplacian 0.6612578E+00 (-1/4)Del**2(Rho)) -0.1653144E+00 Diamond 0.2068041E+01 Metallicity 0.6978040E+01 Ellipticity 0.4790201E-02 Gb(Abramov) 0.3024714E+00 Vb(Abramov) -0.4396284E+00 Hb(Abramov) -0.1371570E+00 Ex_ueg -0.8492677E-01 Ec_ueg -0.1154869E-01 Delta_ex -0.7747683E-01 Delta_ec 0.1813268E-01 Delta_et -0.2575275E+00 Pxc 0.7353801E+01 Qxc -0.4272773E+01 3,-1 132 3 -1 0.778972 -2.000180 2.989609 Rho 0.1113821E+00 |GRAD(Rho)| 0.5587265E-13 GRAD(Rho)x 0.5438128E-13 GRAD(Rho)y -0.1252462E-13 GRAD(Rho)z 0.2750170E-14 Laplacian 0.4376842E+00 (-1/4)Del**2(Rho)) -0.1094210E+00 Diamond 0.6163202E+00 Metallicity 0.4059551E+01 Ellipticity 0.2618793E-01 Gb(Abramov) 0.1469808E+00 Vb(Abramov) -0.1845405E+00 Hb(Abramov) -0.3755971E-01 Ex_ueg -0.3957968E-01 Ec_ueg -0.6019553E-02 Delta_ex -0.4369292E-01 Delta_ec 0.1181926E-01 Delta_et -0.1497468E+00 Pxc 0.6575186E+01 Qxc -0.3696755E+01 3,-1 133 3 -1 1.930759 -0.859302 3.027135 Rho 0.1507071E+00 |GRAD(Rho)| 0.5331476E-13 GRAD(Rho)x 0.3859107E-13 GRAD(Rho)y -0.3593755E-13 GRAD(Rho)z -0.7854042E-14 Laplacian 0.5893433E+00 (-1/4)Del**2(Rho)) -0.1473358E+00 Diamond 0.1194264E+01 Metallicity 0.4990388E+01 Ellipticity 0.5628456E-01 Gb(Abramov) 0.2207677E+00 Vb(Abramov) -0.2941996E+00 Hb(Abramov) -0.7343189E-01 Ex_ueg -0.5923295E-01 Ec_ueg -0.8488794E-02 Delta_ex -0.6329578E-01 Delta_ec 0.1481525E-01 Delta_et -0.1970695E+00 Pxc 0.6977781E+01 Qxc -0.4272341E+01 3,-1 134 3 -1 1.828853 -0.679751 -3.010167 Rho 0.2270591E+00 |GRAD(Rho)| 0.2877752E-15 GRAD(Rho)x -0.8174884E-16 GRAD(Rho)y -0.2649248E-15 GRAD(Rho)z -0.7711388E-16 Laplacian 0.8561531E+00 (-1/4)Del**2(Rho)) -0.2140383E+00 Diamond 0.2818611E+01 Metallicity 0.6801845E+01 Ellipticity 0.1370417E-01 Gb(Abramov) 0.3853347E+00 Vb(Abramov) -0.5566311E+00 Hb(Abramov) -0.1712964E+00 Ex_ueg -0.1023066E+00 Ec_ueg -0.1354914E-01 Delta_ex -0.1018785E+00 Delta_ec 0.1907940E-01 Delta_et -0.2630892E+00 Pxc 0.7550784E+01 Qxc -0.5339714E+01 3,-1 135 3 -1 -2.954566 -0.939735 -2.097182 Rho 0.1175413E+00 |GRAD(Rho)| 0.1255773E-14 GRAD(Rho)x 0.5085111E-15 GRAD(Rho)y 0.7752994E-15 GRAD(Rho)z -0.8469313E-15 Laplacian 0.4501343E+00 (-1/4)Del**2(Rho)) -0.1125336E+00 Diamond 0.6877913E+00 Metallicity 0.4317726E+01 Ellipticity 0.3221117E-01 Gb(Abramov) 0.1560039E+00 Vb(Abramov) -0.1994742E+00 Hb(Abramov) -0.4347033E-01 Ex_ueg -0.4252447E-01 Ec_ueg -0.6399381E-02 Delta_ex -0.4567275E-01 Delta_ec 0.1228911E-01 Delta_et -0.1576660E+00 Pxc 0.6645092E+01 Qxc -0.3716521E+01 3,-1 136 3 -1 1.627090 0.370323 -1.776696 Rho 0.3571338E-01 |GRAD(Rho)| 0.4352162E-16 GRAD(Rho)x -0.1655039E-16 GRAD(Rho)y 0.9450452E-17 GRAD(Rho)z 0.3912678E-16 Laplacian 0.1398133E+00 (-1/4)Del**2(Rho)) -0.3495333E-01 Diamond 0.4636666E-01 Metallicity 0.1908898E+01 Ellipticity 0.5491988E-01 Gb(Abramov) 0.3442261E-01 Vb(Abramov) -0.3389189E-01 Hb(Abramov) 0.5307180E-03 Ex_ueg -0.8686129E-02 Ec_ueg -0.1641903E-02 Delta_ex -0.1068663E-01 Delta_ec 0.4357632E-02 Delta_et -0.4200279E-01 Pxc 0.5290280E+01 Qxc -0.2452393E+01 3,-1 137 3 -1 0.478758 1.647654 -1.678828 Rho 0.4222447E-01 |GRAD(Rho)| 0.6058261E-16 GRAD(Rho)x -0.1630284E-16 GRAD(Rho)y -0.2724609E-16 GRAD(Rho)z 0.5159574E-16 Laplacian 0.1710312E+00 (-1/4)Del**2(Rho)) -0.4275781E-01 Diamond 0.7054208E-01 Metallicity 0.2062899E+01 Ellipticity 0.9932045E-02 Gb(Abramov) 0.4320605E-01 Vb(Abramov) -0.4365428E-01 Hb(Abramov) -0.4482396E-03 Ex_ueg -0.1085935E-01 Ec_ueg -0.1989808E-02 Delta_ex -0.1358359E-01 Delta_ec 0.5260458E-02 Delta_et -0.5306961E-01 Pxc 0.5457487E+01 Qxc -0.2582208E+01 3,-1 138 3 -1 0.570789 1.848270 2.724926 Rho 0.1419546E+00 |GRAD(Rho)| 0.1550622E-15 GRAD(Rho)x -0.4531965E-16 GRAD(Rho)y 0.5753048E-16 GRAD(Rho)z -0.1366772E-15 Laplacian 0.5830710E+00 (-1/4)Del**2(Rho)) -0.1457677E+00 Diamond 0.1094467E+01 Metallicity 0.4565350E+01 Ellipticity 0.1120999E-01 Gb(Abramov) 0.2080920E+00 Vb(Abramov) -0.2704162E+00 Hb(Abramov) -0.6232422E-01 Ex_ueg -0.5469122E-01 Ec_ueg -0.7930497E-02 Delta_ex -0.6165417E-01 Delta_ec 0.1477765E-01 Delta_et -0.1947015E+00 Pxc 0.6896317E+01 Qxc -0.4172124E+01 3,-1 139 3 -1 -0.567092 2.778906 -1.753147 Rho 0.1326675E+00 |GRAD(Rho)| 0.1860926E-15 GRAD(Rho)x 0.2240233E-16 GRAD(Rho)y 0.1182492E-15 GRAD(Rho)z -0.1419356E-15 Laplacian 0.5503677E+00 (-1/4)Del**2(Rho)) -0.1375919E+00 Diamond 0.9491174E+00 Metallicity 0.4320837E+01 Ellipticity 0.1854151E-01 Gb(Abramov) 0.1908133E+00 Vb(Abramov) -0.2440347E+00 Hb(Abramov) -0.5322140E-01 Ex_ueg -0.4997328E-01 Ec_ueg -0.7343398E-02 Delta_ex -0.5720576E-01 Delta_ec 0.1411156E-01 Delta_et -0.1839063E+00 Pxc 0.6805198E+01 Qxc -0.4053822E+01 3,-1 140 3 -1 -0.049354 3.001550 0.078144 Rho 0.5239236E-02 |GRAD(Rho)| 0.3659847E-14 GRAD(Rho)x 0.2471895E-14 GRAD(Rho)y 0.7703477E-15 GRAD(Rho)z -0.2586653E-14 Laplacian 0.2117286E-01 (-1/4)Del**2(Rho)) -0.5293216E-02 Diamond 0.6023376E-03 Metallicity 0.5143755E+00 Ellipticity 0.9357664E+01 Gb(Abramov) 0.3982594E-02 Vb(Abramov) -0.2671972E-02 Hb(Abramov) 0.1310622E-02 Ex_ueg -0.6720615E-03 Ec_ueg -0.1572226E-03 Delta_ex -0.1129061E-02 Delta_ec 0.7859797E-03 Delta_et -0.4280879E-02 Pxc 0.4274586E+01 Qxc -0.1436501E+01 3,-1 141 3 -1 -0.050770 3.185997 -3.117951 Rho 0.2283311E+00 |GRAD(Rho)| 0.4967323E-15 GRAD(Rho)x 0.1060350E-15 GRAD(Rho)y -0.1836638E-15 GRAD(Rho)z 0.4491850E-15 Laplacian 0.8319678E+00 (-1/4)Del**2(Rho)) -0.2079919E+00 Diamond 0.2777017E+01 Metallicity 0.7065047E+01 Ellipticity 0.8820195E-03 Gb(Abramov) 0.3835735E+00 Vb(Abramov) -0.5591550E+00 Hb(Abramov) -0.1755815E+00 Ex_ueg -0.1030715E+00 Ec_ueg -0.1363621E-01 Delta_ex -0.9925569E-01 Delta_ec 0.1870902E-01 Delta_et -0.2588755E+00 Pxc 0.7558662E+01 Qxc -0.5305233E+01 3,-1 142 3 -1 0.110718 3.246399 3.134952 Rho 0.2252267E+00 |GRAD(Rho)| 0.2655995E-15 GRAD(Rho)x -0.8347001E-16 GRAD(Rho)y -0.2495833E-15 GRAD(Rho)z -0.3583288E-16 Laplacian 0.8117094E+00 (-1/4)Del**2(Rho)) -0.2029274E+00 Diamond 0.2670468E+01 Metallicity 0.7078031E+01 Ellipticity 0.2009606E-02 Gb(Abramov) 0.3746726E+00 Vb(Abramov) -0.5464178E+00 Hb(Abramov) -0.1717452E+00 Ex_ueg -0.1012072E+00 Ec_ueg -0.1342386E-01 Delta_ex -0.9652649E-01 Delta_ec 0.1838073E-01 Delta_et -0.2543818E+00 Pxc 0.7539355E+01 Qxc -0.5251503E+01 3,-1 143 3 -1 0.850237 1.991017 -2.934716 Rho 0.1344928E+00 |GRAD(Rho)| 0.2812156E-13 GRAD(Rho)x 0.2738890E-13 GRAD(Rho)y 0.6181179E-14 GRAD(Rho)z -0.1569444E-14 Laplacian 0.5302516E+00 (-1/4)Del**2(Rho)) -0.1325629E+00 Diamond 0.9339345E+00 Metallicity 0.4588066E+01 Ellipticity 0.5920579E-01 Gb(Abramov) 0.1897431E+00 Vb(Abramov) -0.2469234E+00 Hb(Abramov) -0.5718025E-01 Ex_ueg -0.5089211E-01 Ec_ueg -0.7458348E-02 Delta_ex -0.5534855E-01 Delta_ec 0.1364068E-01 Delta_et -0.1783237E+00 Pxc 0.6823510E+01 Qxc -0.4057608E+01 3,-1 144 3 +1 1.749348 1.822236 1.762957 Rho 0.1187155E-01 |GRAD(Rho)| 0.2362093E-13 GRAD(Rho)x -0.8421853E-14 GRAD(Rho)y 0.2049695E-13 GRAD(Rho)z -0.8178981E-14 Laplacian 0.5792480E-01 (-1/4)Del**2(Rho)) -0.1448120E-01 Diamond 0.2273732E-02 Metallicity 0.7349557E+00 Ellipticity -0.1275755E+01 Gb(Abramov) 0.1142797E-01 Vb(Abramov) -0.8374746E-02 Hb(Abramov) 0.3053226E-02 Ex_ueg -0.2000146E-02 Ec_ueg -0.4536427E-03 Delta_ex -0.2835286E-02 Delta_ec 0.7448900E-03 Delta_et -0.5576133E-02 Pxc 0.4409079E+01 Qxc -0.3806315E+01 3,+1 145 3 +1 1.395143 2.051534 -0.989024 Rho 0.2149718E-01 |GRAD(Rho)| 0.2579972E-13 GRAD(Rho)x 0.2101164E-13 GRAD(Rho)y 0.9679390E-14 GRAD(Rho)z 0.1142129E-13 Laplacian 0.8155177E-01 (-1/4)Del**2(Rho)) -0.2038794E-01 Diamond 0.8255993E-02 Metallicity 0.1404373E+01 Ellipticity -0.2723792E+01 Gb(Abramov) 0.1836401E-01 Vb(Abramov) -0.1634007E-01 Hb(Abramov) 0.2023936E-02 Ex_ueg -0.4414625E-02 Ec_ueg -0.9140236E-03 Delta_ex -0.4818189E-02 Delta_ec 0.1286662E-02 Delta_et -0.1097340E-01 Pxc 0.4829881E+01 Qxc -0.3744719E+01 3,+1 146 3 -1 1.892497 2.798451 0.541183 Rho 0.9251216E-01 |GRAD(Rho)| 0.1664649E-15 GRAD(Rho)x 0.1655340E-15 GRAD(Rho)y 0.3464365E-17 GRAD(Rho)z 0.1723543E-16 Laplacian 0.3840381E+00 (-1/4)Del**2(Rho)) -0.9600951E-01 Diamond 0.4337453E+00 Metallicity 0.3395499E+01 Ellipticity 0.8930800E-02 Gb(Abramov) 0.1183397E+00 Vb(Abramov) -0.1406699E+00 Hb(Abramov) -0.2233020E-01 Ex_ueg -0.3090178E-01 Ec_ueg -0.4873743E-02 Delta_ex -0.3673682E-01 Delta_ec 0.1085629E-01 Delta_et -0.1327024E+00 Pxc 0.6340461E+01 Qxc -0.3383921E+01 3,-1 147 3 +3 1.868904 1.777270 -1.807998 Rho 0.1095807E-01 |GRAD(Rho)| 0.9654398E-17 GRAD(Rho)x -0.7954068E-18 GRAD(Rho)y 0.6399144E-17 GRAD(Rho)z 0.7185102E-17 Laplacian 0.4872228E-01 (-1/4)Del**2(Rho)) -0.1218057E-01 Diamond 0.9028879E-03 Metallicity 0.7646141E+00 Ellipticity -0.4597739E+00 Gb(Abramov) 0.9672618E-02 Vb(Abramov) -0.7164668E-02 Hb(Abramov) 0.2507951E-02 Ex_ueg -0.1797617E-02 Ec_ueg -0.4116860E-03 Delta_ex -0.2070649E-02 Delta_ec 0.1543384E-03 Delta_et -0.1515995E-02 Pxc 0.4366475E+01 Qxc -0.1341629E+02 3,+3 148 3 -1 1.958052 -2.997945 0.829824 Rho 0.1135418E+00 |GRAD(Rho)| 0.4302851E-14 GRAD(Rho)x 0.2506306E-14 GRAD(Rho)y -0.3464026E-14 GRAD(Rho)z -0.4831950E-15 Laplacian 0.4348726E+00 (-1/4)Del**2(Rho)) -0.1087182E+00 Diamond 0.6349342E+00 Metallicity 0.4218685E+01 Ellipticity 0.2468293E-01 Gb(Abramov) 0.1489201E+00 Vb(Abramov) -0.1891220E+00 Hb(Abramov) -0.4020190E-01 Ex_ueg -0.4060622E-01 Ec_ueg -0.6152424E-02 Delta_ex -0.4372940E-01 Delta_ec 0.1190443E-01 Delta_et -0.1516767E+00 Pxc 0.6600036E+01 Qxc -0.3673372E+01 3,-1 149 3 -1 1.782359 -2.952980 -0.595295 Rho 0.2126205E+00 |GRAD(Rho)| 0.2668221E-10 GRAD(Rho)x -0.1883528E-10 GRAD(Rho)y -0.9705780E-11 GRAD(Rho)z -0.1621637E-10 Laplacian 0.8198415E+00 (-1/4)Del**2(Rho)) -0.2049604E+00 Diamond 0.2483967E+01 Metallicity 0.6366368E+01 Ellipticity 0.2583398E-01 Gb(Abramov) 0.3541158E+00 Vb(Abramov) -0.5032712E+00 Hb(Abramov) -0.1491554E+00 Ex_ueg -0.9372566E-01 Ec_ueg -0.1256702E-01 Delta_ex -0.9584996E-01 Delta_ec 0.1850496E-01 Delta_et -0.2538424E+00 Pxc 0.7458068E+01 Qxc -0.5179691E+01 3,-1 150 3 -1 1.641539 -0.567319 1.688160 Rho 0.3101845E-01 |GRAD(Rho)| 0.1158027E-15 GRAD(Rho)x 0.8949480E-16 GRAD(Rho)y 0.2283728E-16 GRAD(Rho)z 0.6985269E-16 Laplacian 0.1239258E+00 (-1/4)Del**2(Rho)) -0.3098146E-01 Diamond 0.3316731E-01 Metallicity 0.1702752E+01 Ellipticity 0.5200068E-01 Gb(Abramov) 0.2944660E-01 Vb(Abramov) -0.2791174E-01 Hb(Abramov) 0.1534861E-02 Ex_ueg -0.7198001E-02 Ec_ueg -0.1396259E-02 Delta_ex -0.9092403E-02 Delta_ec 0.3753675E-02 Delta_et -0.3479563E-01 Pxc 0.5155205E+01 Qxc -0.2422267E+01 3,-1 151 3 -1 2.720643 -0.642543 -1.870840 Rho 0.1286781E+00 |GRAD(Rho)| 0.1410418E-14 GRAD(Rho)x -0.5039880E-15 GRAD(Rho)y -0.1186029E-14 GRAD(Rho)z -0.5732448E-15 Laplacian 0.5171760E+00 (-1/4)Del**2(Rho)) -0.1292940E+00 Diamond 0.8713318E+00 Metallicity 0.4370011E+01 Ellipticity 0.6861753E-02 Gb(Abramov) 0.1803654E+00 Vb(Abramov) -0.2314368E+00 Hb(Abramov) -0.5107137E-01 Ex_ueg -0.4797975E-01 Ec_ueg -0.7092922E-02 Delta_ex -0.5350114E-01 Delta_ec 0.1361125E-01 Delta_et -0.1770085E+00 Pxc 0.6764454E+01 Qxc -0.3930657E+01 3,-1 152 3 -1 3.304940 3.152858 0.038136 Rho 0.2268167E+00 |GRAD(Rho)| 0.5630358E-14 GRAD(Rho)x -0.1156085E-14 GRAD(Rho)y -0.4943203E-14 GRAD(Rho)z 0.2434983E-14 Laplacian 0.8079702E+00 (-1/4)Del**2(Rho)) -0.2019926E+00 Diamond 0.2688635E+01 Metallicity 0.7194649E+01 Ellipticity 0.1869996E-02 Gb(Abramov) 0.3768726E+00 Vb(Abramov) -0.5517527E+00 Hb(Abramov) -0.1748801E+00 Ex_ueg -0.1021610E+00 Ec_ueg -0.1353255E-01 Delta_ex -0.9630235E-01 Delta_ec 0.1833982E-01 Delta_et -0.2542385E+00 Pxc 0.7549278E+01 Qxc -0.5250997E+01 3,-1 153 3 -1 -3.246690 3.117418 -0.059067 Rho 0.2242280E+00 |GRAD(Rho)| 0.2399414E-15 GRAD(Rho)x -0.7930939E-16 GRAD(Rho)y 0.2098473E-15 GRAD(Rho)z -0.8512342E-16 Laplacian 0.8127992E+00 (-1/4)Del**2(Rho)) -0.2031998E+00 Diamond 0.2654731E+01 Metallicity 0.7016376E+01 Ellipticity 0.8365486E-02 Gb(Abramov) 0.3730876E+00 Vb(Abramov) -0.5429753E+00 Hb(Abramov) -0.1698878E+00 Ex_ueg -0.1006093E+00 Ec_ueg -0.1335566E-01 Delta_ex -0.9651540E-01 Delta_ec 0.1837620E-01 Delta_et -0.2540464E+00 Pxc 0.7533085E+01 Qxc -0.5252197E+01 3,-1 154 3 -1 -0.622993 -2.832340 1.834965 Rho 0.1620637E+00 |GRAD(Rho)| 0.3148793E-12 GRAD(Rho)x 0.2893655E-12 GRAD(Rho)y 0.1219460E-12 GRAD(Rho)z 0.2336158E-13 Laplacian 0.6705096E+00 (-1/4)Del**2(Rho)) -0.1676274E+00 Diamond 0.1465634E+01 Metallicity 0.4950901E+01 Ellipticity 0.4590200E-01 Gb(Abramov) 0.2500694E+00 Vb(Abramov) -0.3325114E+00 Hb(Abramov) -0.8244199E-01 Ex_ueg -0.6525783E-01 Ec_ueg -0.9220183E-02 Delta_ex -0.7316727E-01 Delta_ec 0.1627676E-01 Delta_et -0.2178529E+00 Pxc 0.7077716E+01 Qxc -0.4495198E+01 3,-1 155 3 -1 -0.829533 2.986325 1.972422 Rho 0.1476333E+00 |GRAD(Rho)| 0.1232242E-11 GRAD(Rho)x -0.9813573E-12 GRAD(Rho)y 0.4356061E-12 GRAD(Rho)z -0.6046528E-12 Laplacian 0.5695010E+00 (-1/4)Del**2(Rho)) -0.1423753E+00 Diamond 0.1125592E+01 Metallicity 0.4989907E+01 Ellipticity 0.5064845E-01 Gb(Abramov) 0.2133234E+00 Vb(Abramov) -0.2842715E+00 Hb(Abramov) -0.7094812E-01 Ex_ueg -0.5762763E-01 Ec_ueg -0.8292182E-02 Delta_ex -0.6085285E-01 Delta_ec 0.1438554E-01 Delta_et -0.1907997E+00 Pxc 0.6949634E+01 Qxc -0.4230140E+01 3,-1 156 3 -1 0.847231 2.965872 -1.921420 Rho 0.1399132E+00 |GRAD(Rho)| 0.2607867E-15 GRAD(Rho)x 0.9381059E-16 GRAD(Rho)y 0.1191945E-16 GRAD(Rho)z -0.2430375E-15 Laplacian 0.5504058E+00 (-1/4)Del**2(Rho)) -0.1376015E+00 Diamond 0.1017078E+01 Metallicity 0.4720934E+01 Ellipticity 0.5928500E-01 Gb(Abramov) 0.2000022E+00 Vb(Abramov) -0.2624030E+00 Hb(Abramov) -0.6240075E-01 Ex_ueg -0.5364509E-01 Ec_ueg -0.7800973E-02 Delta_ex -0.5801347E-01 Delta_ec 0.1403360E-01 Delta_et -0.1845795E+00 Pxc 0.6876717E+01 Qxc -0.4133898E+01 3,-1 157 3 -1 0.618329 2.864570 1.767427 Rho 0.1691077E+00 |GRAD(Rho)| 0.1166989E-13 GRAD(Rho)x -0.5190374E-14 GRAD(Rho)y -0.8880300E-14 GRAD(Rho)z -0.5512409E-14 Laplacian 0.6908112E+00 (-1/4)Del**2(Rho)) -0.1727028E+00 Diamond 0.1592639E+01 Metallicity 0.5158533E+01 Ellipticity 0.3603244E-01 Gb(Abramov) 0.2636174E+00 Vb(Abramov) -0.3545320E+00 Hb(Abramov) -0.9091458E-01 Ex_ueg -0.6906685E-01 Ec_ueg -0.9677703E-02 Delta_ex -0.7621877E-01 Delta_ec 0.1663825E-01 Delta_et -0.2239247E+00 Pxc 0.7136699E+01 Qxc -0.4580935E+01 3,-1 158 3 +1 1.319141 0.976501 -2.148044 Rho 0.2440097E-01 |GRAD(Rho)| 0.3055224E-14 GRAD(Rho)x 0.1720290E-14 GRAD(Rho)y -0.2104723E-14 GRAD(Rho)z -0.1394683E-14 Laplacian 0.9596182E-01 (-1/4)Del**2(Rho)) -0.2399046E-01 Diamond 0.1241726E-01 Metallicity 0.1474098E+01 Ellipticity -0.3783309E+01 Gb(Abramov) 0.2188769E-01 Vb(Abramov) -0.1978492E-01 Hb(Abramov) 0.2102770E-02 Ex_ueg -0.5227104E-02 Ec_ueg -0.1058601E-02 Delta_ex -0.5961051E-02 Delta_ec 0.1684197E-02 Delta_et -0.1476474E-01 Pxc 0.4937746E+01 Qxc -0.3539403E+01 3,+1 159 3 -1 1.749315 1.630186 -0.534589 Rho 0.2906561E-01 |GRAD(Rho)| 0.5289233E-14 GRAD(Rho)x 0.4107094E-14 GRAD(Rho)y 0.3117488E-14 GRAD(Rho)z 0.1178571E-14 Laplacian 0.1151814E+00 (-1/4)Del**2(Rho)) -0.2879536E-01 Diamond 0.2829869E-01 Metallicity 0.1643853E+01 Ellipticity 0.1315569E-01 Gb(Abramov) 0.2708613E-01 Vb(Abramov) -0.2537690E-01 Hb(Abramov) 0.1709228E-02 Ex_ueg -0.6600208E-02 Ec_ueg -0.1295512E-02 Delta_ex -0.8326301E-02 Delta_ec 0.3502511E-02 Delta_et -0.3188296E-01 Pxc 0.5094673E+01 Qxc -0.2377238E+01 3,-1 160 3 +1 2.068408 2.013798 -2.018382 Rho 0.1153877E-01 |GRAD(Rho)| 0.6103250E-14 GRAD(Rho)x -0.3371435E-14 GRAD(Rho)y -0.3589454E-14 GRAD(Rho)z 0.3605401E-14 Laplacian 0.5320617E-01 (-1/4)Del**2(Rho)) -0.1330154E-01 Diamond 0.1790430E-02 Metallicity 0.7631044E+00 Ellipticity -0.1219313E+01 Gb(Abramov) 0.1055944E-01 Vb(Abramov) -0.7817336E-02 Hb(Abramov) 0.2742103E-02 Ex_ueg -0.1925741E-02 Ec_ueg -0.4383193E-03 Delta_ex -0.2518425E-02 Delta_ec 0.5655754E-03 Delta_et -0.4298389E-02 Pxc 0.4393467E+01 Qxc -0.4452855E+01 3,+1 161 3 -1 1.766925 0.537988 2.780589 Rho 0.1182003E+00 |GRAD(Rho)| 0.4071978E-16 GRAD(Rho)x -0.3047963E-16 GRAD(Rho)y 0.1468416E-16 GRAD(Rho)z 0.2265983E-16 Laplacian 0.4902949E+00 (-1/4)Del**2(Rho)) -0.1225737E+00 Diamond 0.7384764E+00 Metallicity 0.4001167E+01 Ellipticity 0.1442819E-01 Gb(Abramov) 0.1634555E+00 Vb(Abramov) -0.2043373E+00 Hb(Abramov) -0.4088176E-01 Ex_ueg -0.4284267E-01 Ec_ueg -0.6440182E-02 Delta_ex -0.4959830E-01 Delta_ec 0.1298381E-01 Delta_et -0.1661373E+00 Pxc 0.6652400E+01 Qxc -0.3820010E+01 3,-1 162 3 -1 1.941365 0.778831 -3.023414 Rho 0.1252524E+00 |GRAD(Rho)| 0.1565083E-15 GRAD(Rho)x 0.2912438E-16 GRAD(Rho)y -0.1533604E-15 GRAD(Rho)z 0.1127909E-16 Laplacian 0.4774361E+00 (-1/4)Del**2(Rho)) -0.1193590E+00 Diamond 0.7847766E+00 Metallicity 0.4525586E+01 Ellipticity 0.3106907E-01 Gb(Abramov) 0.1696009E+00 Vb(Abramov) -0.2198428E+00 Hb(Abramov) -0.5024191E-01 Ex_ueg -0.4628425E-01 Ec_ueg -0.6878687E-02 Delta_ex -0.4914765E-01 Delta_ec 0.1278325E-01 Delta_et -0.1657403E+00 Pxc 0.6728647E+01 Qxc -0.3844692E+01 3,-1 163 3 -1 3.079280 1.975050 -0.859250 Rho 0.1860853E+00 |GRAD(Rho)| 0.4909722E-15 GRAD(Rho)x 0.2439184E-15 GRAD(Rho)y -0.1888951E-15 GRAD(Rho)z -0.3819373E-15 Laplacian 0.7149034E+00 (-1/4)Del**2(Rho)) -0.1787259E+00 Diamond 0.1858483E+01 Metallicity 0.5846363E+01 Ellipticity 0.5562572E-01 Gb(Abramov) 0.2932999E+00 Vb(Abramov) -0.4078740E+00 Hb(Abramov) -0.1145741E+00 Ex_ueg -0.7846351E-01 Ec_ueg -0.1079228E-01 Delta_ex -0.8087525E-01 Delta_ec 0.1691603E-01 Delta_et -0.2302893E+00 Pxc 0.7270339E+01 Qxc -0.4780984E+01 3,-1 164 3 -1 -1.804540 -1.657250 -0.495340 Rho 0.4313115E-01 |GRAD(Rho)| 0.1670908E-15 GRAD(Rho)x 0.1209497E-15 GRAD(Rho)y 0.1013471E-15 GRAD(Rho)z -0.5494777E-16 Laplacian 0.1745140E+00 (-1/4)Del**2(Rho)) -0.4362850E-01 Diamond 0.7449582E-01 Metallicity 0.2094601E+01 Ellipticity 0.8912497E-02 Gb(Abramov) 0.4431638E-01 Vb(Abramov) -0.4500426E-01 Hb(Abramov) -0.6878813E-03 Ex_ueg -0.1117137E-01 Ec_ueg -0.2038864E-02 Delta_ex -0.1395466E-01 Delta_ec 0.5405127E-02 Delta_et -0.5484821E-01 Pxc 0.5479214E+01 Qxc -0.2581745E+01 3,-1 165 3 -1 -0.590515 -1.847162 2.791152 Rho 0.1260512E+00 |GRAD(Rho)| 0.2495197E-15 GRAD(Rho)x 0.2192867E-15 GRAD(Rho)y 0.2538388E-16 GRAD(Rho)z -0.1163146E-15 Laplacian 0.5194258E+00 (-1/4)Del**2(Rho)) -0.1298564E+00 Diamond 0.8500066E+00 Metallicity 0.4204053E+01 Ellipticity 0.4078014E-02 Gb(Abramov) 0.1775582E+00 Vb(Abramov) -0.2252599E+00 Hb(Abramov) -0.4770173E-01 Ex_ueg -0.4667824E-01 Ec_ueg -0.6928571E-02 Delta_ex -0.5342169E-01 Delta_ec 0.1365484E-01 Delta_et -0.1768238E+00 Pxc 0.6737066E+01 Qxc -0.3912289E+01 3,-1 166 3 -1 3.159799 -3.204808 -0.097242 Rho 0.2227130E+00 |GRAD(Rho)| 0.3640998E-14 GRAD(Rho)x -0.4887041E-15 GRAD(Rho)y 0.3291313E-14 GRAD(Rho)z -0.1478276E-14 Laplacian 0.8110779E+00 (-1/4)Del**2(Rho)) -0.2027695E+00 Diamond 0.2629032E+01 Metallicity 0.6952271E+01 Ellipticity 0.1243657E-01 Gb(Abramov) 0.3701310E+00 Vb(Abramov) -0.5374926E+00 Hb(Abramov) -0.1673616E+00 Ex_ueg -0.9970400E-01 Ec_ueg -0.1325231E-01 Delta_ex -0.9615057E-01 Delta_ec 0.1838802E-01 Delta_et -0.2541773E+00 Pxc 0.7523520E+01 Qxc -0.5228978E+01 3,-1 167 3 -1 -0.806006 -3.395641 -1.268426 Rho 0.3187812E+00 |GRAD(Rho)| 0.6529120E-13 GRAD(Rho)x -0.7702559E-14 GRAD(Rho)y -0.6393321E-13 GRAD(Rho)z -0.1077754E-13 Laplacian -0.1655352E+01 (-1/4)Del**2(Rho)) 0.4138380E+00 Diamond 0.5714697E+01 Metallicity -0.6192663E+01 Ellipticity 0.3501085E-02 Gb(Abramov) 0.1512345E+00 Vb(Abramov) -0.7163070E+00 Hb(Abramov) -0.5650725E+00 Ex_ueg -0.1608331E+00 Ec_ueg -0.2005541E-01 Delta_ex 0.1647584E+00 Delta_ec 0.5746713E-01 Delta_et -0.1363047E+01 Pxc 0.8019435E+01 Qxc 0.2867003E+01 3,-1 168 3 -1 2.046924 2.942575 -0.823231 Rho 0.1216178E+00 |GRAD(Rho)| 0.1425900E-15 GRAD(Rho)x 0.6028842E-16 GRAD(Rho)y 0.1212138E-15 GRAD(Rho)z 0.4477077E-16 Laplacian 0.4708088E+00 (-1/4)Del**2(Rho)) -0.1177022E+00 Diamond 0.7408704E+00 Metallicity 0.4369485E+01 Ellipticity 0.2375105E-01 Gb(Abramov) 0.1641845E+00 Vb(Abramov) -0.2106667E+00 Hb(Abramov) -0.4648227E-01 Ex_ueg -0.4450216E-01 Ec_ueg -0.6652253E-02 Delta_ex -0.4804542E-01 Delta_ec 0.1254968E-01 Delta_et -0.1616507E+00 Pxc 0.6689788E+01 Qxc -0.3828418E+01 3,-1 169 3 -1 -3.319653 -3.099817 0.070300 Rho 0.2280240E+00 |GRAD(Rho)| 0.5176617E-15 GRAD(Rho)x 0.4103163E-15 GRAD(Rho)y 0.2997819E-15 GRAD(Rho)z -0.9871661E-16 Laplacian 0.8381370E+00 (-1/4)Del**2(Rho)) -0.2095343E+00 Diamond 0.2788647E+01 Metallicity 0.6997331E+01 Ellipticity 0.3453254E-02 Gb(Abramov) 0.3840529E+00 Vb(Abramov) -0.5585716E+00 Hb(Abramov) -0.1745187E+00 Ex_ueg -0.1028867E+00 Ec_ueg -0.1361518E-01 Delta_ex -0.9993149E-01 Delta_ec 0.1880994E-01 Delta_et -0.2600688E+00 Pxc 0.7556764E+01 Qxc -0.5312696E+01 3,-1 170 3 -1 -3.051598 -1.981035 -0.880114 Rho 0.1483749E+00 |GRAD(Rho)| 0.2468885E-13 GRAD(Rho)x 0.7206285E-14 GRAD(Rho)y -0.1387680E-13 GRAD(Rho)z 0.1910611E-13 Laplacian 0.5733122E+00 (-1/4)Del**2(Rho)) -0.1433280E+00 Diamond 0.1144535E+01 Metallicity 0.4998304E+01 Ellipticity 0.7292711E-01 Gb(Abramov) 0.2149515E+00 Vb(Abramov) -0.2865750E+00 Hb(Abramov) -0.7162350E-01 Ex_ueg -0.5801392E-01 Ec_ueg -0.8339564E-02 Delta_ex -0.6138176E-01 Delta_ec 0.1454626E-01 Delta_et -0.1932550E+00 Pxc 0.6956469E+01 Qxc -0.4219762E+01 3,-1 171 3 -1 -0.402281 0.337132 0.339669 Rho 0.1962712E+00 |GRAD(Rho)| 0.1373000E-14 GRAD(Rho)x 0.7080435E-15 GRAD(Rho)y -0.7920210E-15 GRAD(Rho)z -0.8697732E-15 Laplacian 0.6527642E+00 (-1/4)Del**2(Rho)) -0.1631911E+00 Diamond 0.2018843E+01 Metallicity 0.6997630E+01 Ellipticity 0.4174473E-02 Gb(Abramov) 0.2991191E+00 Vb(Abramov) -0.4350472E+00 Hb(Abramov) -0.1359281E+00 Ex_ueg -0.8424168E-01 Ec_ueg -0.1146887E-01 Delta_ex -0.7631256E-01 Delta_ec 0.1783044E-01 Delta_et -0.2527528E+00 Pxc 0.7345247E+01 Qxc -0.4279903E+01 3,-1 172 3 -1 2.945787 -0.842127 2.022748 Rho 0.1724592E+00 |GRAD(Rho)| 0.6336489E-11 GRAD(Rho)x -0.2800349E-11 GRAD(Rho)y 0.4346630E-11 GRAD(Rho)z 0.3662778E-11 Laplacian 0.6671456E+00 (-1/4)Del**2(Rho)) -0.1667864E+00 Diamond 0.1582389E+01 Metallicity 0.5519120E+01 Ellipticity 0.5864466E-01 Gb(Abramov) 0.2646100E+00 Vb(Abramov) -0.3624335E+00 Hb(Abramov) -0.9782356E-01 Ex_ueg -0.7089793E-01 Ec_ueg -0.9896408E-02 Delta_ex -0.7403430E-01 Delta_ec 0.1609871E-01 Delta_et -0.2174517E+00 Pxc 0.7164006E+01 Qxc -0.4598771E+01 3,-1 173 3 -1 -1.958992 0.877027 3.071941 Rho 0.1679002E+00 |GRAD(Rho)| 0.1660109E-12 GRAD(Rho)x -0.1183671E-12 GRAD(Rho)y -0.8357104E-13 GRAD(Rho)z -0.8102316E-13 Laplacian 0.6521858E+00 (-1/4)Del**2(Rho)) -0.1630464E+00 Diamond 0.1497289E+01 Metallicity 0.5399173E+01 Ellipticity 0.7287500E-01 Gb(Abramov) 0.2554170E+00 Vb(Abramov) -0.3477875E+00 Hb(Abramov) -0.9237052E-01 Ex_ueg -0.6841007E-01 Ec_ueg -0.9599066E-02 Delta_ex -0.7188446E-01 Delta_ec 0.1583803E-01 Delta_et -0.2132633E+00 Pxc 0.7126743E+01 Qxc -0.4538724E+01 3,-1 174 3 -1 2.837882 1.810428 0.581119 Rho 0.1521858E+00 |GRAD(Rho)| 0.3566638E-15 GRAD(Rho)x -0.8122368E-16 GRAD(Rho)y 0.2179517E-15 GRAD(Rho)z -0.2703865E-15 Laplacian 0.6293585E+00 (-1/4)Del**2(Rho)) -0.1573396E+00 Diamond 0.1278407E+01 Metallicity 0.4749761E+01 Ellipticity 0.2981900E-01 Gb(Abramov) 0.2294474E+00 Vb(Abramov) -0.3015551E+00 Hb(Abramov) -0.7210773E-01 Ex_ueg -0.6000910E-01 Ec_ueg -0.8583581E-02 Delta_ex -0.6763919E-01 Delta_ec 0.1557345E-01 Delta_et -0.2069324E+00 Pxc 0.6991149E+01 Qxc -0.4343237E+01 3,-1 175 3 -1 0.310070 0.305362 -0.406911 Rho 0.1970559E+00 |GRAD(Rho)| 0.1001677E-15 GRAD(Rho)x -0.7949280E-16 GRAD(Rho)y 0.4617957E-16 GRAD(Rho)z -0.3977316E-16 Laplacian 0.6569666E+00 (-1/4)Del**2(Rho)) -0.1642416E+00 Diamond 0.2047714E+01 Metallicity 0.6999261E+01 Ellipticity 0.3206771E-02 Gb(Abramov) 0.3010895E+00 Vb(Abramov) -0.4379373E+00 Hb(Abramov) -0.1368478E+00 Ex_ueg -0.8469106E-01 Ec_ueg -0.1152124E-01 Delta_ex -0.7692210E-01 Delta_ec 0.1800265E-01 Delta_et -0.2555473E+00 Pxc 0.7350866E+01 Qxc -0.4272821E+01 3,-1 176 3 -1 -0.464015 -0.388175 -0.396784 Rho 0.2052881E+00 |GRAD(Rho)| 0.9108067E-16 GRAD(Rho)x -0.7193957E-16 GRAD(Rho)y 0.1060205E-16 GRAD(Rho)z 0.5484508E-16 Laplacian 0.7464268E+00 (-1/4)Del**2(Rho)) -0.1866067E+00 Diamond 0.2404739E+01 Metallicity 0.6595264E+01 Ellipticity 0.3248746E-01 Gb(Abramov) 0.3295246E+00 Vb(Abramov) -0.4724424E+00 Hb(Abramov) -0.1429178E+00 Ex_ueg -0.8944102E-01 Ec_ueg -0.1207268E-01 Delta_ex -0.8803305E-01 Delta_ec 0.1978475E-01 Delta_et -0.2809112E+00 Pxc 0.7408549E+01 Qxc -0.4449542E+01 3,-1 177 3 -1 -2.814853 -1.787070 0.584215 Rho 0.1549288E+00 |GRAD(Rho)| 0.7122492E-14 GRAD(Rho)x 0.3056705E-15 GRAD(Rho)y -0.5035360E-14 GRAD(Rho)z -0.5028082E-14 Laplacian 0.6411888E+00 (-1/4)Del**2(Rho)) -0.1602972E+00 Diamond 0.1322897E+01 Metallicity 0.4803019E+01 Ellipticity 0.3485190E-01 Gb(Abramov) 0.2351832E+00 Vb(Abramov) -0.3100693E+00 Hb(Abramov) -0.7488603E-01 Ex_ueg -0.6145559E-01 Ec_ueg -0.8759774E-02 Delta_ex -0.6914185E-01 Delta_ec 0.1566208E-01 Delta_et -0.2082645E+00 Pxc 0.7015660E+01 Qxc -0.4414601E+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 81 165 154 132 83 78 131 176 175 171 137 125 139 143 156 141 69 138 157 71 155 142 87 91 149 92 148 166 159 174 146 163 168 152 121 55 65 56 67 153 164 177 62 170 60 169 116 105 118 135 113 104 108 117 115 107 173 103 150 99 161 172 133 96 136 151 134 98 162 97 84 126 140 76 167 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 21 21 25 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 28 36 27 52 52 2.460671 1.960551 1.859318 2.019666 1.912945 1.736146 1.569921 1.550580 1.570942 1.572643 2.422258 1.946225 1.939054 1.943348 1.927045 1.735454 2.474924 1.913788 1.843748 2.106389 1.908800 1.741142 2.458416 1.927272 1.761744 2.161710 2.014163 1.745504 2.583117 1.882892 2.084846 1.815291 1.984909 1.738591 2.457383 1.803855 1.946526 1.983127 2.040947 1.742880 2.409693 1.876724 2.053486 1.904296 1.954168 1.735504 2.375793 2.240313 1.938862 1.998139 1.743389 1.749748 2.492363 2.050014 1.921670 1.932571 1.855091 1.736688 2.555195 2.013580 1.985351 1.845543 1.897179 1.737750 2.494130 1.952477 1.738086 2.238056 1.973998 1.748358 3.004509 3.066243 3.272832 1.813804 0.997444 2.461796 1.961121 1.860051 2.020410 1.913684 1.736159 1.569953 1.550698 1.570970 1.572649 2.423558 1.946802 1.939756 1.944104 1.927789 1.735470 2.476059 1.914386 1.844224 2.107066 1.909517 1.741154 2.459732 1.927870 1.761895 2.162525 2.014937 1.745533 2.584199 1.883484 2.085424 1.815656 1.985645 1.738611 2.458437 1.804282 1.947017 1.983901 2.041702 1.742905 2.411155 1.877506 2.054037 1.904991 1.955736 1.735530 2.377536 2.240783 1.939441 1.998931 1.743421 1.749783 2.493488 2.050646 1.922408 1.933323 1.855623 1.736707 2.556225 2.014284 1.986203 1.846089 1.897778 1.737770 2.495362 1.953053 1.738128 2.238686 1.974743 1.748399 3.013276 3.068226 3.282354 1.817446 0.997570 27 23 23 25 24 22 24 21 21 21 28 27 26 23 23 21 29 28 23 27 23 21 29 27 24 25 25 23 29 23 25 24 23 23 27 22 24 23 24 22 27 23 25 23 23 22 27 26 25 27 23 24 29 26 25 26 23 24 29 25 25 22 24 22 29 23 22 26 24 23 33 33 35 26 20 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 Mo P Mo Mo Mo Mo Mo Mo Mo Mo Mo 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 H 2.3083 2.1324 2.3041 2.3071 2.2339 2.2767 2.3004 2.3050 2.2453 2.2833 2.2733 2.1990 -1.0406 -0.9949 -1.0392 -1.0389 -0.8954 -0.9489 -0.8571 -0.9179 -0.6912 -0.9184 -0.9266 -0.9108 -0.9165 -0.8990 -0.8990 -0.7642 -0.8909 -0.9335 -0.8750 -0.9211 -0.9124 -0.9296 -0.8955 -0.7200 -0.7730 -0.9255 -0.9241 -0.9143 -0.7366 -0.7659 -0.7299 -0.7539 -0.7587 -0.7476 -0.7551 -0.7309 -0.7596 -0.7397 -0.7447 0.3274 1.9149 2.5178 1.9245 1.9234 1.9639 1.9365 1.9208 1.9535 1.9728 1.9289 1.9385 1.9695 1.8988 1.9009 1.8997 1.8975 1.9435 1.9410 1.9579 1.9407 1.9831 1.9402 1.9395 1.9398 1.9400 1.9439 1.9465 1.9780 1.9537 1.9450 1.9584 1.9461 1.9464 1.9463 1.9514 1.9727 1.8786 1.9473 1.9470 1.9456 1.9728 1.9687 1.9732 1.9704 1.9697 1.9719 1.9700 1.9729 1.9680 1.9724 1.9719 0.5285 6.1011 7.5279 6.1024 6.0978 6.1132 6.1038 6.0982 6.0935 6.0962 6.1059 6.1070 6.1240 5.1034 5.0559 5.1013 5.1028 4.9264 4.9820 4.8712 4.9514 4.6743 4.9532 4.9621 4.9451 4.9506 4.9275 4.9253 4.7555 4.9102 4.9602 4.8883 4.9478 4.9381 4.9563 4.9156 4.7158 4.8662 4.9523 4.9497 4.9414 4.7314 4.7667 4.7241 4.7520 4.7582 4.7437 4.7539 4.7258 4.7613 4.7350 4.7407 0.1442 3.6757 0.8220 3.6690 3.6716 3.6890 3.6829 3.6807 3.6480 3.6856 3.6819 3.6812 3.7075 0.0383 0.0381 0.0381 0.0387 0.0255 0.0259 0.0281 0.0258 0.0338 0.0250 0.0251 0.0258 0.0259 0.0276 0.0272 0.0308 0.0270 0.0282 0.0284 0.0273 0.0278 0.0270 0.0284 0.0315 0.0281 0.0259 0.0274 0.0273 0.0324 0.0305 0.0325 0.0315 0.0309 0.0320 0.0312 0.0323 0.0303 0.0323 0.0321 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 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 Mo P Mo Mo Mo Mo Mo Mo Mo Mo Mo 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 H 3.177799 1.999187 3.183043 3.170892 3.147835 3.162608 3.167487 3.184339 3.158375 3.171899 3.171250 3.135441 -1.127138 -1.067979 -1.125729 -1.133760 -1.175562 -1.214895 -1.136249 -1.197387 -0.977459 -1.199872 -1.198022 -1.194429 -1.197498 -1.173287 -1.178238 -0.953943 -1.153761 -1.182393 -1.142327 -1.181786 -1.177389 -1.183258 -1.158778 -0.991731 -0.726874 -1.182458 -1.178938 -1.177122 -1.005443 -1.039472 -0.998138 -1.025545 -1.032714 -1.019057 -1.027857 -0.998497 -1.029345 -1.009988 -1.015948 0.060113 2.382188 1.568870 2.383044 2.377326 2.349546 2.377408 2.371555 2.374507 2.370077 2.380559 2.379655 2.355028 -0.884716 -0.834873 -0.888097 -0.894786 -0.914484 -0.922887 -0.902647 -0.931985 -0.762762 -0.922633 -0.913516 -0.915329 -0.914690 -0.914344 -0.926230 -0.750659 -0.943731 -0.932565 -0.934503 -0.947341 -0.947059 -0.951429 -0.940782 -0.775798 -0.869618 -0.963859 -0.950867 -0.941171 -0.775321 -0.822772 -0.772309 -0.797747 -0.811544 -0.786551 -0.801738 -0.757246 -0.820784 -0.779709 -0.786222 0.335543 2.470484 1.557432 2.479078 2.459788 2.422482 2.458655 2.453117 2.502666 2.458113 2.465658 2.466949 2.424658 -0.896097 -0.892506 -0.902731 -0.909422 -1.000329 -1.002946 -0.943607 -1.024930 -0.770627 -1.005057 -1.025006 -0.993984 -0.992539 -1.029704 -0.990265 -0.822989 -0.973505 -0.981398 -0.958745 -0.996342 -0.980027 -1.020414 -0.969168 -0.766847 -0.922963 -1.016274 -1.011353 -0.976613 -0.729235 -0.787395 -0.728124 -0.755357 -0.771425 -0.748288 -0.756626 -0.740877 -0.804145 -0.739688 -0.749479 0.467947 0.21716770 -1.98603419 -0.34656683 2.02770861 -14.28655427 2.24078828 -2.47595377 11.05241404 5.60435811 3.23414022 -321.3166 401.5988 -133.3669 -345.2889 -42.8249 -441.1985 Feb12-2023 21:59:38 Nodes: 1 Procs: 1 Feb12-2023 21:59:38 Nodes: 1 Procs: 1 0 Feb12-2023 21:59:39 Nodes: 1 Procs: 1 Feb12-2023 21:59:39 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Feb12-2023 21:59:40 Nodes: 1 Procs: 1 Feb12-2023 21:59:41 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Feb12-2023 21:59:41 Nodes: 1 Procs: 1 Feb12-2023 21:59:42 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Feb12-2023 21:59:43 Nodes: 1 Procs: 24 *** (NO TITLE) *** -6 -15.55848943 -15.96700338 -15.73652196 -16.02266366 -16.14064221 -16.16925064 -16.18011458 -16.18383681 -16.19253239 -16.19866503 -16.20209310 -16.20448313 -16.20496446 -16.20906304 -16.21058640 -16.21127866 -16.21173471 -16.21190020 -16.21241144 -16.21274441 -16.21295468 -16.21312762 -16.21321990 -16.21328413 -16.21331690 -16.21336331 -16.21342749 -16.21347658 -16.21353073 -16.21356959 -16.21360623 -16.21364120 -16.21368827 -16.21372374 -16.21374065 -16.21374610 GEOMETRY CONVERGED