ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar16-2024 00:55:02 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.58 0.03 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 Mar16-2024 00:55:02 Nodes: 1 Procs: 1 Mar16-2024 00:55:02 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar16-2024 00:55:03 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 0.02 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 Mar16-2024 00:55:02 Nodes: 1 Procs: 1 Mar16-2024 00:55:02 Nodes: 1 Procs: 1 0 Mar16-2024 00:55:03 Nodes: 1 Procs: 1 Mar16-2024 00:55:03 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar16-2024 00:55:04 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) 1.32 0.04 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 Mar16-2024 00:55:02 Nodes: 1 Procs: 1 Mar16-2024 00:55:02 Nodes: 1 Procs: 1 0 Mar16-2024 00:55:03 Nodes: 1 Procs: 1 Mar16-2024 00:55:03 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar16-2024 00:55:04 Nodes: 1 Procs: 1 Mar16-2024 00:55:05 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar16-2024 00:55:07 Phosphorus (TZP, 1s frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP 2877.0297610000057 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-0.898368 -0.898310 Rho 0.3187781E+03 3,-3 15 3 -3 0.898402 0.898265 -0.898476 Rho 0.3187781E+03 3,-3 16 3 -3 -0.898346 0.898407 0.898406 Rho 0.3187781E+03 3,-3 17 3 -3 -3.019713 -1.169993 1.169649 Rho 0.3188732E+03 3,-3 18 3 -3 3.019714 -1.170172 -1.169616 Rho 0.3188732E+03 3,-3 19 3 -3 -3.019691 1.169963 -1.169561 Rho 0.3188732E+03 3,-3 20 3 -3 3.019675 1.169933 1.169499 Rho 0.3188732E+03 3,-3 21 3 -3 1.170017 -1.169659 -3.019303 Rho 0.3188732E+03 3,-3 22 3 -3 1.170123 1.169669 3.019299 Rho 0.3188732E+03 3,-3 23 3 -3 -1.170104 1.169596 -3.019326 Rho 0.3188732E+03 3,-3 24 3 -3 -1.170097 -1.169487 3.019293 Rho 0.3188732E+03 3,-3 25 3 -3 -1.169686 3.019257 -1.170060 Rho 0.3188732E+03 3,-3 26 3 -3 -1.169677 -3.019276 1.170063 Rho 0.3188732E+03 3,-3 27 3 -3 1.169752 3.019284 1.169937 Rho 0.3188732E+03 3,-3 28 3 -3 1.169641 -3.019299 -1.169918 Rho 0.3188732E+03 3,-3 29 3 -3 3.381760 -1.495568 1.495059 Rho 0.3189703E+03 3,-3 30 3 -3 -3.381798 -1.495556 -1.495028 Rho 0.3189703E+03 3,-3 31 3 -3 3.381651 1.495214 -1.495033 Rho 0.3189703E+03 3,-3 32 3 -3 -3.381604 1.495370 1.494897 Rho 0.3189703E+03 3,-3 33 3 -3 1.495059 -1.494692 3.381775 Rho 0.3189703E+03 3,-3 34 3 -3 1.495312 1.494949 -3.381927 Rho 0.3189703E+03 3,-3 35 3 -3 -1.495114 1.495049 3.381824 Rho 0.3189703E+03 3,-3 36 3 -3 -1.495074 -1.494779 -3.381719 Rho 0.3189703E+03 3,-3 37 3 -3 -1.494904 -3.381958 -1.495123 Rho 0.3189703E+03 3,-3 38 3 -3 -1.494772 3.381990 1.495225 Rho 0.3189703E+03 3,-3 39 3 -3 1.494799 -3.381949 1.495328 Rho 0.3189703E+03 3,-3 40 3 -3 1.494675 3.381817 -1.495172 Rho 0.3189703E+03 3,-3 41 3 -3 -0.191933 -3.747106 3.749182 Rho 0.3194109E+03 3,-3 42 3 -3 0.191624 -3.747364 -3.748962 Rho 0.3194109E+03 3,-3 43 3 -3 -0.191815 3.747157 -3.749239 Rho 0.3194109E+03 3,-3 44 3 -3 0.192106 3.747381 3.748982 Rho 0.3194109E+03 3,-3 45 3 -3 3.747201 -3.749392 -0.191856 Rho 0.3194109E+03 3,-3 46 3 -3 3.747317 3.749110 0.191636 Rho 0.3194108E+03 3,-3 47 3 -3 -3.747138 3.749321 -0.191913 Rho 0.3194109E+03 3,-3 48 3 -3 -3.747352 -3.749154 0.192153 Rho 0.3194109E+03 3,-3 49 3 -3 -3.749132 0.191792 -3.747194 Rho 0.3194109E+03 3,-3 50 3 -3 -3.748947 -0.191679 3.747416 Rho 0.3194109E+03 3,-3 51 3 -3 3.749087 0.191926 3.747172 Rho 0.3194108E+03 3,-3 52 3 -3 3.748960 -0.192075 -3.747419 Rho 0.3194109E+03 3,-3 53 3 -3 -0.000006 -0.000006 0.000006 Rho 0.2439499E+04 3,-3 54 3 -1 -1.688248 -0.488950 -1.687060 Rho 0.3967114E-01 |GRAD(Rho)| 0.2757649E-13 GRAD(Rho)x -0.2480939E-13 GRAD(Rho)y -0.1696748E-14 GRAD(Rho)z -0.1191965E-13 Laplacian 0.1577140E+00 (-1/4)Del**2(Rho)) -0.3942850E-01 Diamond 0.5751335E-01 Metallicity 0.2016202E+01 Ellipticity 0.1072454E-01 Gb(Abramov) 0.3953497E-01 Vb(Abramov) -0.3964144E-01 Hb(Abramov) -0.1064696E-03 Ex_ueg -0.9992740E-02 Ec_ueg -0.1852440E-02 Delta_ex -0.1220285E-01 Delta_ec 0.4617184E-02 Delta_et -0.4577497E-01 Pxc 0.5394368E+01 Qxc -0.2642920E+01 3,-1 55 3 +3 -1.107412 1.107237 -1.107238 Rho 0.4990129E-02 |GRAD(Rho)| 0.7302083E-12 GRAD(Rho)x -0.7361125E-14 GRAD(Rho)y 0.7532344E-14 GRAD(Rho)z -0.7301324E-12 Laplacian 0.2050471E-01 (-1/4)Del**2(Rho)) -0.5126178E-02 Diamond 0.1519181E-03 Metallicity 0.4897176E+00 Ellipticity -0.1072115E-02 Gb(Abramov) 0.3835849E-02 Vb(Abramov) -0.2545519E-02 Hb(Abramov) 0.1290329E-02 Ex_ueg -0.6297972E-03 Ec_ueg -0.1464880E-03 Delta_ex -0.7165202E-03 Delta_ec 0.1054748E-03 Delta_et -0.7909290E-03 Pxc 0.4299309E+01 Qxc -0.6793285E+01 3,+3 56 3 +1 -2.111837 -1.182478 -1.178686 Rho 0.2549490E-01 |GRAD(Rho)| 0.2465367E-16 GRAD(Rho)x 0.1558468E-16 GRAD(Rho)y -0.1223915E-16 GRAD(Rho)z -0.1466712E-16 Laplacian 0.1031117E+00 (-1/4)Del**2(Rho)) -0.2577794E-01 Diamond 0.1524632E-01 Metallicity 0.1475912E+01 Ellipticity -0.7021217E+01 Gb(Abramov) 0.2352628E-01 Vb(Abramov) -0.2127463E-01 Hb(Abramov) 0.2251652E-02 Ex_ueg -0.5541866E-02 Ec_ueg -0.1113664E-02 Delta_ex -0.6593908E-02 Delta_ec 0.2012595E-02 Delta_et -0.1779351E-01 Pxc 0.4976248E+01 Qxc -0.3276321E+01 3,+1 57 3 +3 2.355318 -0.000068 -0.000120 Rho 0.4413903E-02 |GRAD(Rho)| 0.6216965E-16 GRAD(Rho)x -0.4907611E-16 GRAD(Rho)y 0.2975763E-16 GRAD(Rho)z -0.2389739E-16 Laplacian 0.1826757E-01 (-1/4)Del**2(Rho)) -0.4566892E-02 Diamond 0.1617171E-03 Metallicity 0.4480264E+00 Ellipticity -0.2773481E+00 Gb(Abramov) 0.3385609E-02 Vb(Abramov) -0.2204327E-02 Hb(Abramov) 0.1181283E-02 Ex_ueg -0.5347474E-03 Ec_ueg -0.1217785E-03 Delta_ex -0.6691289E-03 Delta_ec 0.1864884E-03 Delta_et -0.1134550E-02 Pxc 0.4391149E+01 Qxc -0.3588046E+01 3,+3 58 3 +3 -2.355301 0.000115 0.000176 Rho 0.4414071E-02 |GRAD(Rho)| 0.2313195E-13 GRAD(Rho)x 0.1195201E-13 GRAD(Rho)y 0.1885909E-13 GRAD(Rho)z -0.6047437E-14 Laplacian 0.1826839E-01 (-1/4)Del**2(Rho)) -0.4567096E-02 Diamond 0.1617264E-03 Metallicity 0.4480349E+00 Ellipticity -0.2774088E+00 Gb(Abramov) 0.3385767E-02 Vb(Abramov) -0.2204438E-02 Hb(Abramov) 0.1181329E-02 Ex_ueg -0.5347747E-03 Ec_ueg -0.1217857E-03 Delta_ex -0.6691583E-03 Delta_ec 0.1864844E-03 Delta_et -0.1134552E-02 Pxc 0.4391113E+01 Qxc -0.3588280E+01 3,+3 59 3 -1 -2.973037 0.840168 1.975230 Rho 0.1438525E+00 |GRAD(Rho)| 0.6965215E-14 GRAD(Rho)x -0.1702604E-15 GRAD(Rho)y 0.5268694E-14 GRAD(Rho)z -0.4552592E-14 Laplacian 0.5739771E+00 (-1/4)Del**2(Rho)) -0.1434943E+00 Diamond 0.1110524E+01 Metallicity 0.4741482E+01 Ellipticity 0.2981179E-01 Gb(Abramov) 0.2090588E+00 Vb(Abramov) -0.2746233E+00 Hb(Abramov) -0.6556449E-01 Ex_ueg -0.5566832E-01 Ec_ueg -0.8051152E-02 Delta_ex -0.6105679E-01 Delta_ec 0.1479674E-01 Delta_et -0.1959800E+00 Pxc 0.6914330E+01 Qxc -0.4126367E+01 3,-1 60 3 -1 -2.782184 1.810525 -0.577201 Rho 0.1428112E+00 |GRAD(Rho)| 0.1093896E-15 GRAD(Rho)x 0.6993782E-16 GRAD(Rho)y 0.6226031E-16 GRAD(Rho)z -0.5655470E-16 Laplacian 0.6028792E+00 (-1/4)Del**2(Rho)) -0.1507198E+00 Diamond 0.1154628E+01 Metallicity 0.4459848E+01 Ellipticity 0.8868696E-02 Gb(Abramov) 0.2125111E+00 Vb(Abramov) -0.2743024E+00 Hb(Abramov) -0.6179130E-01 Ex_ueg -0.5513171E-01 Ec_ueg -0.7984928E-02 Delta_ex -0.6399978E-01 Delta_ec 0.1553754E-01 Delta_et -0.2055023E+00 Pxc 0.6904472E+01 Qxc -0.4119042E+01 3,-1 61 3 +1 -2.111653 1.182429 1.178747 Rho 0.2549860E-01 |GRAD(Rho)| 0.8612223E-16 GRAD(Rho)x -0.8444256E-16 GRAD(Rho)y 0.4678332E-17 GRAD(Rho)z 0.1626671E-16 Laplacian 0.1031379E+00 (-1/4)Del**2(Rho)) -0.2578449E-01 Diamond 0.1525611E-01 Metallicity 0.1475895E+01 Ellipticity -0.7035825E+01 Gb(Abramov) 0.2353219E-01 Vb(Abramov) -0.2127989E-01 Hb(Abramov) 0.2252297E-02 Ex_ueg -0.5542941E-02 Ec_ueg -0.1113851E-02 Delta_ex -0.6596138E-02 Delta_ec 0.2013648E-02 Delta_et -0.1780338E-01 Pxc 0.4976377E+01 Qxc -0.3275715E+01 3,+1 62 3 +1 -1.756879 1.756599 -1.756649 Rho 0.1244519E-01 |GRAD(Rho)| 0.1055449E-13 GRAD(Rho)x 0.3032169E-14 GRAD(Rho)y -0.5105491E-14 GRAD(Rho)z -0.8725660E-14 Laplacian 0.6294515E-01 (-1/4)Del**2(Rho)) -0.1573629E-01 Diamond 0.2635677E-02 Metallicity 0.7316785E+00 Ellipticity -0.1241125E+01 Gb(Abramov) 0.1240984E-01 Vb(Abramov) -0.9083396E-02 Hb(Abramov) 0.3326445E-02 Ex_ueg -0.2130037E-02 Ec_ueg -0.4801595E-03 Delta_ex -0.3119602E-02 Delta_ec 0.8092686E-03 Delta_et -0.6128221E-02 Pxc 0.4436104E+01 Qxc -0.3854841E+01 3,+1 63 3 -1 -2.972068 1.976480 0.839692 Rho 0.1433054E+00 |GRAD(Rho)| 0.1583500E-14 GRAD(Rho)x 0.4430457E-15 GRAD(Rho)y 0.9381330E-15 GRAD(Rho)z -0.1196282E-14 Laplacian 0.5716982E+00 (-1/4)Del**2(Rho)) -0.1429246E+00 Diamond 0.1101089E+01 Metallicity 0.4730249E+01 Ellipticity 0.2926707E-01 Gb(Abramov) 0.2079612E+00 Vb(Abramov) -0.2729978E+00 Hb(Abramov) -0.6503661E-01 Ex_ueg -0.5538624E-01 Ec_ueg -0.8016351E-02 Delta_ex -0.6075811E-01 Delta_ec 0.1475221E-01 Delta_et -0.1952812E+00 Pxc 0.6909158E+01 Qxc -0.4118576E+01 3,-1 64 3 +1 -1.992037 1.992331 1.992167 Rho 0.1267726E-01 |GRAD(Rho)| 0.3461006E-14 GRAD(Rho)x 0.2408727E-14 GRAD(Rho)y -0.4215980E-15 GRAD(Rho)z -0.2449256E-14 Laplacian 0.6014478E-01 (-1/4)Del**2(Rho)) -0.1503619E-01 Diamond 0.2141774E-02 Metallicity 0.7896919E+00 Ellipticity -0.1151590E+01 Gb(Abramov) 0.1200312E-01 Vb(Abramov) -0.8970052E-02 Hb(Abramov) 0.3033071E-02 Ex_ueg -0.2183161E-02 Ec_ueg -0.4909234E-03 Delta_ex -0.2876917E-02 Delta_ec 0.5616388E-03 Delta_et -0.4431379E-02 Pxc 0.4447050E+01 Qxc -0.5122362E+01 3,+1 65 3 -1 -1.976299 -0.839646 -2.972080 Rho 0.1432679E+00 |GRAD(Rho)| 0.1610404E-13 GRAD(Rho)x -0.1292574E-13 GRAD(Rho)y 0.6455814E-14 GRAD(Rho)z -0.7112529E-14 Laplacian 0.5715522E+00 (-1/4)Del**2(Rho)) -0.1428881E+00 Diamond 0.1100488E+01 Metallicity 0.4729394E+01 Ellipticity 0.2922396E-01 Gb(Abramov) 0.2078877E+00 Vb(Abramov) -0.2728873E+00 Hb(Abramov) -0.6499963E-01 Ex_ueg -0.5536691E-01 Ec_ueg -0.8013966E-02 Delta_ex -0.6073898E-01 Delta_ec 0.1474987E-01 Delta_et -0.1952438E+00 Pxc 0.6908803E+01 Qxc -0.4117932E+01 3,-1 66 3 +1 -1.992131 -1.992260 -1.992112 Rho 0.1267726E-01 |GRAD(Rho)| 0.3089238E-16 GRAD(Rho)x 0.2712031E-16 GRAD(Rho)y -0.1200703E-16 GRAD(Rho)z -0.8640562E-17 Laplacian 0.6014315E-01 (-1/4)Del**2(Rho)) -0.1503579E-01 Diamond 0.2141605E-02 Metallicity 0.7897130E+00 Ellipticity -0.1151608E+01 Gb(Abramov) 0.1200285E-01 Vb(Abramov) -0.8969915E-02 Hb(Abramov) 0.3032936E-02 Ex_ueg -0.2183160E-02 Ec_ueg -0.4909232E-03 Delta_ex -0.2876810E-02 Delta_ec 0.5615706E-03 Delta_et -0.4430896E-02 Pxc 0.4447049E+01 Qxc -0.5122792E+01 3,+1 67 3 +1 -1.685768 -0.541304 0.541331 Rho 0.8674947E-02 |GRAD(Rho)| 0.6216550E-17 GRAD(Rho)x 0.5509102E-17 GRAD(Rho)y 0.3726945E-19 GRAD(Rho)z 0.2879912E-17 Laplacian 0.3610304E-01 (-1/4)Del**2(Rho)) -0.9025761E-02 Diamond 0.1032979E-02 Metallicity 0.6990593E+00 Ellipticity -0.1437882E+01 Gb(Abramov) 0.7068764E-02 Vb(Abramov) -0.5111768E-02 Hb(Abramov) 0.1956997E-02 Ex_ueg -0.1316459E-02 Ec_ueg -0.3083347E-03 Delta_ex -0.1677596E-02 Delta_ec 0.5520207E-03 Delta_et -0.3745818E-02 Pxc 0.4269579E+01 Qxc -0.3039009E+01 3,+1 68 3 +1 -1.756863 -1.756595 1.756675 Rho 0.1244512E-01 |GRAD(Rho)| 0.3381586E-16 GRAD(Rho)x 0.4284934E-17 GRAD(Rho)y 0.2254187E-16 GRAD(Rho)z 0.2483980E-16 Laplacian 0.6294482E-01 (-1/4)Del**2(Rho)) -0.1573620E-01 Diamond 0.2635649E-02 Metallicity 0.7316756E+00 Ellipticity -0.1241128E+01 Gb(Abramov) 0.1240977E-01 Vb(Abramov) -0.9083334E-02 Hb(Abramov) 0.3326435E-02 Ex_ueg -0.2130022E-02 Ec_ueg -0.4801563E-03 Delta_ex -0.3119583E-02 Delta_ec 0.8092669E-03 Delta_et -0.6128198E-02 Pxc 0.4436101E+01 Qxc -0.3854825E+01 3,+1 69 3 +3 -1.835889 1.836169 1.836005 Rho 0.1241481E-01 |GRAD(Rho)| 0.2454005E-16 GRAD(Rho)x 0.1432298E-16 GRAD(Rho)y 0.1765428E-16 GRAD(Rho)z 0.9240825E-17 Laplacian 0.5711972E-01 (-1/4)Del**2(Rho)) -0.1427993E-01 Diamond 0.1294670E-02 Metallicity 0.8030211E+00 Ellipticity -0.7073613E+00 Gb(Abramov) 0.1143114E-01 Vb(Abramov) -0.8582339E-02 Hb(Abramov) 0.2848796E-02 Ex_ueg -0.2123106E-02 Ec_ueg -0.4787516E-03 Delta_ex -0.2528283E-02 Delta_ec 0.1973667E-03 Delta_et -0.1902620E-02 Pxc 0.4434671E+01 Qxc -0.1281008E+02 3,+3 70 3 -1 -1.810457 -0.577106 2.782047 Rho 0.1429354E+00 |GRAD(Rho)| 0.3151397E-15 GRAD(Rho)x 0.1688238E-15 GRAD(Rho)y -0.2579724E-15 GRAD(Rho)z 0.6528252E-16 Laplacian 0.6034730E+00 (-1/4)Del**2(Rho)) -0.1508682E+00 Diamond 0.1156942E+01 Metallicity 0.4461922E+01 Ellipticity 0.8865877E-02 Gb(Abramov) 0.2127725E+00 Vb(Abramov) -0.2746768E+00 Hb(Abramov) -0.6190430E-01 Ex_ueg -0.5519567E-01 Ec_ueg -0.7992826E-02 Delta_ex -0.6407608E-01 Delta_ec 0.1554895E-01 Delta_et -0.2056784E+00 Pxc 0.6905651E+01 Qxc -0.4120927E+01 3,-1 71 3 +1 -1.179171 2.111859 1.181839 Rho 0.2549130E-01 |GRAD(Rho)| 0.1492801E-10 GRAD(Rho)x 0.1134660E-10 GRAD(Rho)y -0.4272984E-11 GRAD(Rho)z 0.8708714E-11 Laplacian 0.1030901E+00 (-1/4)Del**2(Rho)) -0.2577253E-01 Diamond 0.1523907E-01 Metallicity 0.1475874E+01 Ellipticity -0.7014330E+01 Gb(Abramov) 0.2352119E-01 Vb(Abramov) -0.2126985E-01 Hb(Abramov) 0.2251342E-02 Ex_ueg -0.5540823E-02 Ec_ueg -0.1113482E-02 Delta_ex -0.6592166E-02 Delta_ec 0.2011965E-02 Delta_et -0.1778734E-01 Pxc 0.4976123E+01 Qxc -0.3276481E+01 3,+1 72 3 +1 -1.182172 1.178933 2.111778 Rho 0.2549569E-01 |GRAD(Rho)| 0.7022705E-16 GRAD(Rho)x -0.3217880E-16 GRAD(Rho)y 0.1663660E-16 GRAD(Rho)z 0.6016301E-16 Laplacian 0.1031146E+00 (-1/4)Del**2(Rho)) -0.2577865E-01 Diamond 0.1524713E-01 Metallicity 0.1475947E+01 Ellipticity -0.7019956E+01 Gb(Abramov) 0.2352709E-01 Vb(Abramov) -0.2127553E-01 Hb(Abramov) 0.2251564E-02 Ex_ueg -0.5542095E-02 Ec_ueg -0.1113703E-02 Delta_ex -0.6594118E-02 Delta_ec 0.2012601E-02 Delta_et -0.1779372E-01 Pxc 0.4976276E+01 Qxc -0.3276416E+01 3,+1 73 3 +3 -1.107438 -1.107212 1.107254 Rho 0.4990154E-02 |GRAD(Rho)| 0.4330200E-16 GRAD(Rho)x -0.2073193E-16 GRAD(Rho)y -0.2561227E-16 GRAD(Rho)z 0.2809380E-16 Laplacian 0.2050499E-01 (-1/4)Del**2(Rho)) -0.5126248E-02 Diamond 0.1519216E-03 Metallicity 0.4897151E+00 Ellipticity -0.1221125E-02 Gb(Abramov) 0.3835899E-02 Vb(Abramov) -0.2545550E-02 Hb(Abramov) 0.1290349E-02 Ex_ueg -0.6298015E-03 Ec_ueg -0.1464891E-03 Delta_ex -0.7165314E-03 Delta_ec 0.1054768E-03 Delta_et -0.7909436E-03 Pxc 0.4299306E+01 Qxc -0.6793259E+01 3,+3 74 3 +1 -0.541291 -0.541213 1.685569 Rho 0.8678260E-02 |GRAD(Rho)| 0.1249622E-16 GRAD(Rho)x 0.4878910E-18 GRAD(Rho)y -0.4336809E-17 GRAD(Rho)z 0.1170938E-16 Laplacian 0.3611983E-01 (-1/4)Del**2(Rho)) -0.9029958E-02 Diamond 0.1034061E-02 Metallicity 0.6991793E+00 Ellipticity -0.1438015E+01 Gb(Abramov) 0.7072232E-02 Vb(Abramov) -0.5114506E-02 Hb(Abramov) 0.1957726E-02 Ex_ueg -0.1317130E-02 Ec_ueg -0.3084831E-03 Delta_ex -0.1678564E-02 Delta_ec 0.5523284E-03 Delta_et -0.3748243E-02 Pxc 0.4269699E+01 Qxc -0.3039070E+01 3,+1 75 3 -1 -0.839925 -2.972372 -1.976195 Rho 0.1434094E+00 |GRAD(Rho)| 0.1802691E-12 GRAD(Rho)x 0.1341602E-12 GRAD(Rho)y 0.6325034E-13 GRAD(Rho)z -0.1024568E-12 Laplacian 0.5721265E+00 (-1/4)Del**2(Rho)) -0.1430316E+00 Diamond 0.1102862E+01 Metallicity 0.4732424E+01 Ellipticity 0.2938874E-01 Gb(Abramov) 0.2081688E+00 Vb(Abramov) -0.2733060E+00 Hb(Abramov) -0.6513718E-01 Ex_ueg -0.5543981E-01 Ec_ueg -0.8022963E-02 Delta_ex -0.6081426E-01 Delta_ec 0.1476042E-01 Delta_et -0.1954104E+00 Pxc 0.6910142E+01 Qxc -0.4120090E+01 3,-1 76 3 +3 -0.000031 -2.355210 0.000057 Rho 0.4414524E-02 |GRAD(Rho)| 0.2030639E-15 GRAD(Rho)x -0.1023112E-15 GRAD(Rho)y 0.1516189E-15 GRAD(Rho)z -0.8819916E-16 Laplacian 0.1827087E-01 (-1/4)Del**2(Rho)) -0.4567717E-02 Diamond 0.1618260E-03 Metallicity 0.4480507E+00 Ellipticity -0.2771901E+00 Gb(Abramov) 0.3386240E-02 Vb(Abramov) -0.2204762E-02 Hb(Abramov) 0.1181478E-02 Ex_ueg -0.5348479E-03 Ec_ueg -0.1218051E-03 Delta_ex -0.6693270E-03 Delta_ec 0.1866177E-03 Delta_et -0.1135255E-02 Pxc 0.4391015E+01 Qxc -0.3586622E+01 3,+3 77 3 +3 0.000067 0.000042 2.355327 Rho 0.4414487E-02 |GRAD(Rho)| 0.3770620E-17 GRAD(Rho)x 0.6519118E-18 GRAD(Rho)y 0.3617535E-17 GRAD(Rho)z -0.8402567E-18 Laplacian 0.1827139E-01 (-1/4)Del**2(Rho)) -0.4567849E-02 Diamond 0.1618554E-03 Metallicity 0.4480314E+00 Ellipticity -0.2770005E+00 Gb(Abramov) 0.3386322E-02 Vb(Abramov) -0.2204796E-02 Hb(Abramov) 0.1181526E-02 Ex_ueg -0.5348418E-03 Ec_ueg -0.1218034E-03 Delta_ex -0.6693739E-03 Delta_ec 0.1866751E-03 Delta_et -0.1135536E-02 Pxc 0.4391024E+01 Qxc -0.3585770E+01 3,+3 78 3 +1 -0.541205 -1.685524 0.541449 Rho 0.8677349E-02 |GRAD(Rho)| 0.1661092E-16 GRAD(Rho)x -0.3025602E-17 GRAD(Rho)y 0.1001532E-16 GRAD(Rho)z -0.1290201E-16 Laplacian 0.3611553E-01 (-1/4)Del**2(Rho)) -0.9028883E-02 Diamond 0.1033816E-02 Metallicity 0.6991402E+00 Ellipticity -0.1438016E+01 Gb(Abramov) 0.7071331E-02 Vb(Abramov) -0.5113779E-02 Hb(Abramov) 0.1957552E-02 Ex_ueg -0.1316946E-02 Ec_ueg -0.3084423E-03 Delta_ex -0.1678332E-02 Delta_ec 0.5522836E-03 Delta_et -0.3747821E-02 Pxc 0.4269666E+01 Qxc -0.3038896E+01 3,+1 79 3 -1 -0.577140 -2.781991 1.810502 Rho 0.1428244E+00 |GRAD(Rho)| 0.2652399E-13 GRAD(Rho)x -0.2578048E-13 GRAD(Rho)y 0.6195971E-14 GRAD(Rho)z 0.7059647E-15 Laplacian 0.6029761E+00 (-1/4)Del**2(Rho)) -0.1507440E+00 Diamond 0.1154942E+01 Metallicity 0.4459816E+01 Ellipticity 0.8882371E-02 Gb(Abramov) 0.2125445E+00 Vb(Abramov) -0.2743449E+00 Hb(Abramov) -0.6180043E-01 Ex_ueg -0.5513849E-01 Ec_ueg -0.7985765E-02 Delta_ex -0.6401151E-01 Delta_ec 0.1553970E-01 Delta_et -0.2055337E+00 Pxc 0.6904597E+01 Qxc -0.4119226E+01 3,-1 80 3 -1 -0.840153 -1.975191 -2.973088 Rho 0.1439363E+00 |GRAD(Rho)| 0.3290349E-13 GRAD(Rho)x 0.2431349E-13 GRAD(Rho)y -0.1884871E-13 GRAD(Rho)z 0.1167133E-13 Laplacian 0.5743239E+00 (-1/4)Del**2(Rho)) -0.1435810E+00 Diamond 0.1111991E+01 Metallicity 0.4743220E+01 Ellipticity 0.2987102E-01 Gb(Abramov) 0.2092267E+00 Vb(Abramov) -0.2748724E+00 Hb(Abramov) -0.6564571E-01 Ex_ueg -0.5571157E-01 Ec_ueg -0.8056485E-02 Delta_ex -0.6110257E-01 Delta_ec 0.1480392E-01 Delta_et -0.1960927E+00 Pxc 0.6915121E+01 Qxc -0.4127458E+01 3,-1 81 3 +1 -1.179746 -2.111817 -1.181335 Rho 0.2549174E-01 |GRAD(Rho)| 0.4746061E-15 GRAD(Rho)x -0.1474391E-15 GRAD(Rho)y -0.4293517E-15 GRAD(Rho)z -0.1384550E-15 Laplacian 0.1030912E+00 (-1/4)Del**2(Rho)) -0.2577280E-01 Diamond 0.1523933E-01 Metallicity 0.1475902E+01 Ellipticity -0.7013671E+01 Gb(Abramov) 0.2352156E-01 Vb(Abramov) -0.2127031E-01 Hb(Abramov) 0.2251247E-02 Ex_ueg -0.5540953E-02 Ec_ueg -0.1113504E-02 Delta_ex -0.6592236E-02 Delta_ec 0.2011934E-02 Delta_et -0.1778716E-01 Pxc 0.4976139E+01 Qxc -0.3276566E+01 3,+1 82 3 -1 0.059066 -3.197466 -3.199124 Rho 0.2545769E+00 |GRAD(Rho)| 0.2211899E-13 GRAD(Rho)x -0.3952323E-14 GRAD(Rho)y 0.1567138E-13 GRAD(Rho)z 0.1510088E-13 Laplacian 0.9142377E+00 (-1/4)Del**2(Rho)) -0.2285594E+00 Diamond 0.3467033E+01 Metallicity 0.7707595E+01 Ellipticity 0.8868705E-03 Gb(Abramov) 0.4459802E+00 Vb(Abramov) -0.6634010E+00 Hb(Abramov) -0.2174208E+00 Ex_ueg -0.1191636E+00 Ec_ueg -0.1545258E-01 Delta_ex -0.1121577E+00 Delta_ec 0.1980389E-01 Delta_et -0.2745603E+00 Pxc 0.7711564E+01 Qxc -0.5663417E+01 3,-1 83 3 -1 -0.059311 -3.197255 3.199313 Rho 0.2545774E+00 |GRAD(Rho)| 0.5004014E-15 GRAD(Rho)x 0.1414071E-15 GRAD(Rho)y 0.3063955E-15 GRAD(Rho)z -0.3694961E-15 Laplacian 0.9142446E+00 (-1/4)Del**2(Rho)) -0.2285612E+00 Diamond 0.3467065E+01 Metallicity 0.7707566E+01 Ellipticity 0.8872123E-03 Gb(Abramov) 0.4459825E+00 Vb(Abramov) -0.6634038E+00 Hb(Abramov) -0.2174213E+00 Ex_ueg -0.1191640E+00 Ec_ueg -0.1545263E-01 Delta_ex -0.1121586E+00 Delta_ec 0.1980399E-01 Delta_et -0.2745616E+00 Pxc 0.7711568E+01 Qxc -0.5663433E+01 3,-1 84 3 +1 0.541150 -1.685547 -0.541334 Rho 0.8677198E-02 |GRAD(Rho)| 0.1161509E-14 GRAD(Rho)x 0.1014048E-14 GRAD(Rho)y -0.4750161E-15 GRAD(Rho)z 0.3084962E-15 Laplacian 0.3611460E-01 (-1/4)Del**2(Rho)) -0.9028650E-02 Diamond 0.1033803E-02 Metallicity 0.6991380E+00 Ellipticity -0.1438059E+01 Gb(Abramov) 0.7071145E-02 Vb(Abramov) -0.5113641E-02 Hb(Abramov) 0.1957505E-02 Ex_ueg -0.1316915E-02 Ec_ueg -0.3084355E-03 Delta_ex -0.1678299E-02 Delta_ec 0.5522996E-03 Delta_et -0.3747889E-02 Pxc 0.4269661E+01 Qxc -0.3038747E+01 3,+1 85 3 -1 -0.489218 -1.687242 -1.688041 Rho 0.3966748E-01 |GRAD(Rho)| 0.2777596E-15 GRAD(Rho)x -0.2070072E-15 GRAD(Rho)y -0.7649533E-16 GRAD(Rho)z -0.1686620E-15 Laplacian 0.1577014E+00 (-1/4)Del**2(Rho)) -0.3942536E-01 Diamond 0.5750060E-01 Metallicity 0.2016052E+01 Ellipticity 0.1075122E-01 Gb(Abramov) 0.3953084E-01 Vb(Abramov) -0.3963632E-01 Hb(Abramov) -0.1054781E-03 Ex_ueg -0.9991511E-02 Ec_ueg -0.1852244E-02 Delta_ex -0.1220154E-01 Delta_ec 0.4616718E-02 Delta_et -0.4576921E-01 Pxc 0.5394275E+01 Qxc -0.2642904E+01 3,-1 86 3 +1 -1.182463 -1.178623 -2.111666 Rho 0.2549978E-01 |GRAD(Rho)| 0.6912200E-16 GRAD(Rho)x 0.1238537E-16 GRAD(Rho)y 0.3091280E-16 GRAD(Rho)z 0.6057105E-16 Laplacian 0.1031367E+00 (-1/4)Del**2(Rho)) -0.2578418E-01 Diamond 0.1525461E-01 Metallicity 0.1476026E+01 Ellipticity -0.7026185E+01 Gb(Abramov) 0.2353247E-01 Vb(Abramov) -0.2128076E-01 Hb(Abramov) 0.2251706E-02 Ex_ueg -0.5543283E-02 Ec_ueg -0.1113910E-02 Delta_ex -0.6595897E-02 Delta_ec 0.2013192E-02 Delta_et -0.1779965E-01 Pxc 0.4976418E+01 Qxc -0.3276337E+01 3,+1 87 3 -1 -0.577472 -1.809205 2.782938 Rho 0.1432802E+00 |GRAD(Rho)| 0.5556289E-15 GRAD(Rho)x 0.2431323E-16 GRAD(Rho)y 0.5484572E-15 GRAD(Rho)z 0.8559776E-16 Laplacian 0.6049132E+00 (-1/4)Del**2(Rho)) -0.1512283E+00 Diamond 0.1162961E+01 Metallicity 0.4469206E+01 Ellipticity 0.8947776E-02 Gb(Abramov) 0.2134639E+00 Vb(Abramov) -0.2756996E+00 Hb(Abramov) -0.6223563E-01 Ex_ueg -0.5537324E-01 Ec_ueg -0.8014746E-02 Delta_ex -0.6426569E-01 Delta_ec 0.1557492E-01 Delta_et -0.2060912E+00 Pxc 0.6908919E+01 Qxc -0.4126229E+01 3,-1 88 3 -1 0.489104 -1.687159 1.688170 Rho 0.3967062E-01 |GRAD(Rho)| 0.1650191E-12 GRAD(Rho)x 0.1228905E-12 GRAD(Rho)y 0.9744442E-13 GRAD(Rho)z 0.5132086E-13 Laplacian 0.1577149E+00 (-1/4)Del**2(Rho)) -0.3942872E-01 Diamond 0.5751219E-01 Metallicity 0.2016147E+01 Ellipticity 0.1074702E-01 Gb(Abramov) 0.3953483E-01 Vb(Abramov) -0.3964094E-01 Hb(Abramov) -0.1061070E-03 Ex_ueg -0.9992567E-02 Ec_ueg -0.1852412E-02 Delta_ex -0.1220285E-01 Delta_ec 0.4617161E-02 Delta_et -0.4577458E-01 Pxc 0.5394355E+01 Qxc -0.2642934E+01 3,-1 89 3 +1 1.179599 -2.111807 1.181555 Rho 0.2549138E-01 |GRAD(Rho)| 0.4945343E-13 GRAD(Rho)x -0.2222087E-13 GRAD(Rho)y -0.3822702E-13 GRAD(Rho)z -0.2214881E-13 Laplacian 0.1030886E+00 (-1/4)Del**2(Rho)) -0.2577216E-01 Diamond 0.1523846E-01 Metallicity 0.1475903E+01 Ellipticity -0.7012790E+01 Gb(Abramov) 0.2352098E-01 Vb(Abramov) -0.2126979E-01 Hb(Abramov) 0.2251185E-02 Ex_ueg -0.5540846E-02 Ec_ueg -0.1113486E-02 Delta_ex -0.6592029E-02 Delta_ec 0.2011850E-02 Delta_et -0.1778636E-01 Pxc 0.4976126E+01 Qxc -0.3276600E+01 3,+1 90 3 +3 1.107403 -1.107311 -1.107189 Rho 0.4989947E-02 |GRAD(Rho)| 0.6521083E-17 GRAD(Rho)x 0.3276883E-17 GRAD(Rho)y -0.5109207E-17 GRAD(Rho)z 0.2383815E-17 Laplacian 0.2050392E-01 (-1/4)Del**2(Rho)) -0.5125980E-02 Diamond 0.1519068E-03 Metallicity 0.4897068E+00 Ellipticity -0.1506175E-02 Gb(Abramov) 0.3835691E-02 Vb(Abramov) -0.2545402E-02 Hb(Abramov) 0.1290289E-02 Ex_ueg -0.6297666E-03 Ec_ueg -0.1464802E-03 Delta_ex -0.7164874E-03 Delta_ec 0.1054743E-03 Delta_et -0.7909112E-03 Pxc 0.4299329E+01 Qxc -0.6793004E+01 3,+3 91 3 +1 1.685766 -0.541485 -0.541235 Rho 0.8674245E-02 |GRAD(Rho)| 0.6347852E-17 GRAD(Rho)x 0.4499439E-17 GRAD(Rho)y -0.3879411E-17 GRAD(Rho)z 0.2236167E-17 Laplacian 0.3609949E-01 (-1/4)Del**2(Rho)) -0.9024872E-02 Diamond 0.1032761E-02 Metallicity 0.6990339E+00 Ellipticity -0.1437867E+01 Gb(Abramov) 0.7068030E-02 Vb(Abramov) -0.5111188E-02 Hb(Abramov) 0.1956842E-02 Ex_ueg -0.1316317E-02 Ec_ueg -0.3083033E-03 Delta_ex -0.1677396E-02 Delta_ec 0.5519645E-03 Delta_et -0.3745358E-02 Pxc 0.4269554E+01 Qxc -0.3038956E+01 3,+1 92 3 +1 2.111783 -1.182462 1.178801 Rho 0.2549471E-01 |GRAD(Rho)| 0.6808517E-16 GRAD(Rho)x 0.5993990E-16 GRAD(Rho)y -0.2334560E-16 GRAD(Rho)z 0.2231102E-16 Laplacian 0.1031105E+00 (-1/4)Del**2(Rho)) -0.2577763E-01 Diamond 0.1524594E-01 Metallicity 0.1475912E+01 Ellipticity -0.7021092E+01 Gb(Abramov) 0.2352600E-01 Vb(Abramov) -0.2127438E-01 Hb(Abramov) 0.2251624E-02 Ex_ueg -0.5541813E-02 Ec_ueg -0.1113654E-02 Delta_ex -0.6593811E-02 Delta_ec 0.2012561E-02 Delta_et -0.1779319E-01 Pxc 0.4976242E+01 Qxc -0.3276328E+01 3,+1 93 3 +3 1.107433 1.107267 1.107179 Rho 0.4990257E-02 |GRAD(Rho)| 0.3123693E-17 GRAD(Rho)x -0.5180136E-19 GRAD(Rho)y 0.2577475E-17 GRAD(Rho)z 0.1763915E-17 Laplacian 0.2050523E-01 (-1/4)Del**2(Rho)) -0.5126308E-02 Diamond 0.1519250E-03 Metallicity 0.4897262E+00 Ellipticity -0.8583893E-03 Gb(Abramov) 0.3835953E-02 Vb(Abramov) -0.2545598E-02 Hb(Abramov) 0.1290355E-02 Ex_ueg -0.6298187E-03 Ec_ueg -0.1464935E-03 Delta_ex -0.7165413E-03 Delta_ec 0.1054737E-03 Delta_et -0.7909339E-03 Pxc 0.4299294E+01 Qxc -0.6793554E+01 3,+3 94 3 +1 1.182312 -1.178662 2.111760 Rho 0.2550215E-01 |GRAD(Rho)| 0.8774343E-15 GRAD(Rho)x 0.3916459E-15 GRAD(Rho)y -0.1214391E-15 GRAD(Rho)z 0.7757300E-15 Laplacian 0.1031496E+00 (-1/4)Del**2(Rho)) -0.2578740E-01 Diamond 0.1525891E-01 Metallicity 0.1476070E+01 Ellipticity -0.7029322E+01 Gb(Abramov) 0.2353560E-01 Vb(Abramov) -0.2128380E-01 Hb(Abramov) 0.2251799E-02 Ex_ueg -0.5543969E-02 Ec_ueg -0.1114030E-02 Delta_ex -0.6596929E-02 Delta_ec 0.2013528E-02 Delta_et -0.1780302E-01 Pxc 0.4976500E+01 Qxc -0.3276303E+01 3,+1 95 3 +3 -0.000162 -0.000150 -2.355312 Rho 0.4414399E-02 |GRAD(Rho)| 0.1189976E-16 GRAD(Rho)x -0.2486606E-17 GRAD(Rho)y -0.4495659E-17 GRAD(Rho)z 0.1073360E-16 Laplacian 0.1827072E-01 (-1/4)Del**2(Rho)) -0.4567679E-02 Diamond 0.1618382E-03 Metallicity 0.4480332E+00 Ellipticity -0.2770466E+00 Gb(Abramov) 0.3386198E-02 Vb(Abramov) -0.2204717E-02 Hb(Abramov) 0.1181481E-02 Ex_ueg -0.5348276E-03 Ec_ueg -0.1217997E-03 Delta_ex -0.6693383E-03 Delta_ec 0.1866549E-03 Delta_et -0.1135425E-02 Pxc 0.4391042E+01 Qxc -0.3585967E+01 3,+3 96 3 +1 0.541304 1.685526 0.541292 Rho 0.8677146E-02 |GRAD(Rho)| 0.5859419E-15 GRAD(Rho)x 0.4745079E-15 GRAD(Rho)y 0.1679632E-15 GRAD(Rho)z -0.2999310E-15 Laplacian 0.3611412E-01 (-1/4)Del**2(Rho)) -0.9028529E-02 Diamond 0.1033762E-02 Metallicity 0.6991403E+00 Ellipticity -0.1438044E+01 Gb(Abramov) 0.7071054E-02 Vb(Abramov) -0.5113579E-02 Hb(Abramov) 0.1957475E-02 Ex_ueg -0.1316904E-02 Ec_ueg -0.3084332E-03 Delta_ex -0.1678265E-02 Delta_ec 0.5522772E-03 Delta_et -0.3747743E-02 Pxc 0.4269659E+01 Qxc -0.3038810E+01 3,+1 97 3 +1 0.541204 -0.541387 -1.685561 Rho 0.8677868E-02 |GRAD(Rho)| 0.3920066E-16 GRAD(Rho)x -0.2835189E-16 GRAD(Rho)y 0.3144186E-17 GRAD(Rho)z 0.2688821E-16 Laplacian 0.3611798E-01 (-1/4)Del**2(Rho)) -0.9029496E-02 Diamond 0.1033937E-02 Metallicity 0.6991625E+00 Ellipticity -0.1437995E+01 Gb(Abramov) 0.7071844E-02 Vb(Abramov) -0.5114193E-02 Hb(Abramov) 0.1957651E-02 Ex_ueg -0.1317051E-02 Ec_ueg -0.3084655E-03 Delta_ex -0.1678456E-02 Delta_ec 0.5522943E-03 Delta_et -0.3747972E-02 Pxc 0.4269685E+01 Qxc -0.3039062E+01 3,+1 98 3 +1 1.179125 2.111689 -1.181958 Rho 0.2549449E-01 |GRAD(Rho)| 0.7176835E-16 GRAD(Rho)x -0.3314272E-16 GRAD(Rho)y -0.6121517E-16 GRAD(Rho)z 0.1746309E-16 Laplacian 0.1031090E+00 (-1/4)Del**2(Rho)) -0.2577724E-01 Diamond 0.1524571E-01 Metallicity 0.1475913E+01 Ellipticity -0.7021477E+01 Gb(Abramov) 0.2352565E-01 Vb(Abramov) -0.2127407E-01 Hb(Abramov) 0.2251587E-02 Ex_ueg -0.5541749E-02 Ec_ueg -0.1113643E-02 Delta_ex -0.6593717E-02 Delta_ec 0.2012565E-02 Delta_et -0.1779317E-01 Pxc 0.4976234E+01 Qxc -0.3276275E+01 3,+1 99 3 -1 1.688174 -0.488910 1.687143 Rho 0.3967494E-01 |GRAD(Rho)| 0.1837436E-16 GRAD(Rho)x -0.2603991E-17 GRAD(Rho)y 0.1100444E-16 GRAD(Rho)z 0.1448236E-16 Laplacian 0.1577312E+00 (-1/4)Del**2(Rho)) -0.3943281E-01 Diamond 0.5752768E-01 Metallicity 0.2016304E+01 Ellipticity 0.1072360E-01 Gb(Abramov) 0.3953996E-01 Vb(Abramov) -0.3964711E-01 Hb(Abramov) -0.1071493E-03 Ex_ueg -0.9994018E-02 Ec_ueg -0.1852643E-02 Delta_ex -0.1220451E-01 Delta_ec 0.4617743E-02 Delta_et -0.4578169E-01 Pxc 0.5394464E+01 Qxc -0.2642960E+01 3,-1 100 3 +1 1.182571 1.178488 -2.111870 Rho 0.2549336E-01 |GRAD(Rho)| 0.2878358E-16 GRAD(Rho)x 0.1500649E-16 GRAD(Rho)y 0.1706855E-16 GRAD(Rho)z -0.1766252E-16 Laplacian 0.1031001E+00 (-1/4)Del**2(Rho)) -0.2577502E-01 Diamond 0.1524184E-01 Metallicity 0.1475931E+01 Ellipticity -0.7013162E+01 Gb(Abramov) 0.2352371E-01 Vb(Abramov) -0.2127239E-01 Hb(Abramov) 0.2251314E-02 Ex_ueg -0.5541423E-02 Ec_ueg -0.1113586E-02 Delta_ex -0.6592900E-02 Delta_ec 0.2012084E-02 Delta_et -0.1778878E-01 Pxc 0.4976195E+01 Qxc -0.3276653E+01 3,+1 101 3 +1 1.992073 -1.992231 1.992217 Rho 0.1267736E-01 |GRAD(Rho)| 0.5647419E-17 GRAD(Rho)x -0.3029667E-18 GRAD(Rho)y -0.5344811E-17 GRAD(Rho)z -0.1798486E-17 Laplacian 0.6014392E-01 (-1/4)Del**2(Rho)) -0.1503598E-01 Diamond 0.2141648E-02 Metallicity 0.7897137E+00 Ellipticity -0.1151586E+01 Gb(Abramov) 0.1200301E-01 Vb(Abramov) -0.8970032E-02 Hb(Abramov) 0.3032973E-02 Ex_ueg -0.2183184E-02 Ec_ueg -0.4909281E-03 Delta_ex -0.2876851E-02 Delta_ec 0.5615737E-03 Delta_et -0.4430932E-02 Pxc 0.4447054E+01 Qxc -0.5122837E+01 3,+1 102 3 +1 1.685736 0.541377 0.541116 Rho 0.8675887E-02 |GRAD(Rho)| 0.1133062E-14 GRAD(Rho)x -0.3759064E-15 GRAD(Rho)y -0.9550330E-15 GRAD(Rho)z 0.4800373E-15 Laplacian 0.3610722E-01 (-1/4)Del**2(Rho)) -0.9026806E-02 Diamond 0.1033230E-02 Metallicity 0.6991048E+00 Ellipticity -0.1437896E+01 Gb(Abramov) 0.7069651E-02 Vb(Abramov) -0.5112496E-02 Hb(Abramov) 0.1957155E-02 Ex_ueg -0.1316650E-02 Ec_ueg -0.3083768E-03 Delta_ex -0.1677826E-02 Delta_ec 0.5520683E-03 Delta_et -0.3746260E-02 Pxc 0.4269613E+01 Qxc -0.3039164E+01 3,+1 103 3 +1 0.541386 0.541284 1.685565 Rho 0.8677813E-02 |GRAD(Rho)| 0.6994785E-17 GRAD(Rho)x 0.1788934E-17 GRAD(Rho)y -0.4445229E-17 GRAD(Rho)z -0.5095750E-17 Laplacian 0.3611778E-01 (-1/4)Del**2(Rho)) -0.9029445E-02 Diamond 0.1033901E-02 Metallicity 0.6991589E+00 Ellipticity -0.1437970E+01 Gb(Abramov) 0.7071800E-02 Vb(Abramov) -0.5114154E-02 Hb(Abramov) 0.1957646E-02 Ex_ueg -0.1317039E-02 Ec_ueg -0.3084630E-03 Delta_ex -0.1678435E-02 Delta_ec 0.5522748E-03 Delta_et -0.3747845E-02 Pxc 0.4269683E+01 Qxc -0.3039130E+01 3,+1 104 3 -1 2.973060 0.839885 -1.975305 Rho 0.1438074E+00 |GRAD(Rho)| 0.4195255E-15 GRAD(Rho)x -0.5212302E-16 GRAD(Rho)y -0.3540056E-15 GRAD(Rho)z -0.2190088E-15 Laplacian 0.5737814E+00 (-1/4)Del**2(Rho)) -0.1434453E+00 Diamond 0.1109732E+01 Metallicity 0.4740622E+01 Ellipticity 0.2977050E-01 Gb(Abramov) 0.2089669E+00 Vb(Abramov) -0.2744885E+00 Hb(Abramov) -0.6552158E-01 Ex_ueg -0.5564506E-01 Ec_ueg -0.8048283E-02 Delta_ex -0.6103135E-01 Delta_ec 0.1479292E-01 Delta_et -0.1959205E+00 Pxc 0.6913905E+01 Qxc -0.4125714E+01 3,-1 105 3 +1 2.111711 1.181977 -1.179122 Rho 0.2549857E-01 |GRAD(Rho)| 0.1138397E-15 GRAD(Rho)x 0.1066466E-15 GRAD(Rho)y 0.3775794E-16 GRAD(Rho)z -0.1266157E-16 Laplacian 0.1031375E+00 (-1/4)Del**2(Rho)) -0.2578437E-01 Diamond 0.1525588E-01 Metallicity 0.1475898E+01 Ellipticity -0.7035184E+01 Gb(Abramov) 0.2353209E-01 Vb(Abramov) -0.2127982E-01 Hb(Abramov) 0.2252273E-02 Ex_ueg -0.5542931E-02 Ec_ueg -0.1113849E-02 Delta_ex -0.6596091E-02 Delta_ec 0.2013614E-02 Delta_et -0.1780308E-01 Pxc 0.4976376E+01 Qxc -0.3275747E+01 3,+1 106 3 +1 1.756901 1.756627 1.756575 Rho 0.1244526E-01 |GRAD(Rho)| 0.2866923E-15 GRAD(Rho)x 0.1439208E-15 GRAD(Rho)y 0.9988943E-16 GRAD(Rho)z -0.2269392E-15 Laplacian 0.6294522E-01 (-1/4)Del**2(Rho)) -0.1573630E-01 Diamond 0.2635685E-02 Metallicity 0.7316841E+00 Ellipticity -0.1241111E+01 Gb(Abramov) 0.1240987E-01 Vb(Abramov) -0.9083436E-02 Hb(Abramov) 0.3326434E-02 Ex_ueg -0.2130052E-02 Ec_ueg -0.4801625E-03 Delta_ex -0.3119606E-02 Delta_ec 0.8092625E-03 Delta_et -0.6128188E-02 Pxc 0.4436107E+01 Qxc -0.3854875E+01 3,+1 107 3 +1 1.992087 1.992172 -1.992230 Rho 0.1267717E-01 |GRAD(Rho)| 0.1212809E-13 GRAD(Rho)x -0.5338848E-14 GRAD(Rho)y 0.8401012E-14 GRAD(Rho)z 0.6928950E-14 Laplacian 0.6014427E-01 (-1/4)Del**2(Rho)) -0.1503607E-01 Diamond 0.2141710E-02 Metallicity 0.7896888E+00 Ellipticity -0.1151608E+01 Gb(Abramov) 0.1200301E-01 Vb(Abramov) -0.8969960E-02 Hb(Abramov) 0.3033054E-02 Ex_ueg -0.2183139E-02 Ec_ueg -0.4909190E-03 Delta_ex -0.2876881E-02 Delta_ec 0.5616229E-03 Delta_et -0.4431258E-02 Pxc 0.4447045E+01 Qxc -0.5122443E+01 3,+1 108 3 -1 2.782238 1.810418 0.577076 Rho 0.1428304E+00 |GRAD(Rho)| 0.3564147E-15 GRAD(Rho)x 0.2020004E-16 GRAD(Rho)y 0.2659819E-15 GRAD(Rho)z -0.2363832E-15 Laplacian 0.6029709E+00 (-1/4)Del**2(Rho)) -0.1507427E+00 Diamond 0.1154987E+01 Metallicity 0.4460166E+01 Ellipticity 0.8880929E-02 Gb(Abramov) 0.2125514E+00 Vb(Abramov) -0.2743601E+00 Hb(Abramov) -0.6180868E-01 Ex_ueg -0.5514156E-01 Ec_ueg -0.7986145E-02 Delta_ex -0.6401158E-01 Delta_ec 0.1553934E-01 Delta_et -0.2055301E+00 Pxc 0.6904654E+01 Qxc -0.4119324E+01 3,-1 109 3 -1 2.972164 1.976304 -0.839871 Rho 0.1433474E+00 |GRAD(Rho)| 0.1019060E-14 GRAD(Rho)x -0.3488827E-15 GRAD(Rho)y 0.6068686E-15 GRAD(Rho)z 0.7405914E-15 Laplacian 0.5718682E+00 (-1/4)Del**2(Rho)) -0.1429671E+00 Diamond 0.1101797E+01 Metallicity 0.4731152E+01 Ellipticity 0.2932115E-01 Gb(Abramov) 0.2080445E+00 Vb(Abramov) -0.2731220E+00 Hb(Abramov) -0.6507746E-01 Ex_ueg -0.5540787E-01 Ec_ueg -0.8019021E-02 Delta_ex -0.6078045E-01 Delta_ec 0.1475541E-01 Delta_et -0.1953318E+00 Pxc 0.6909556E+01 Qxc -0.4119197E+01 3,-1 110 3 -1 3.197405 3.199260 0.059178 Rho 0.2545746E+00 |GRAD(Rho)| 0.3950784E-14 GRAD(Rho)x -0.3403311E-14 GRAD(Rho)y -0.1013946E-14 GRAD(Rho)z 0.1731498E-14 Laplacian 0.9142138E+00 (-1/4)Del**2(Rho)) -0.2285534E+00 Diamond 0.3466914E+01 Metallicity 0.7707684E+01 Ellipticity 0.8860821E-03 Gb(Abramov) 0.4459719E+00 Vb(Abramov) -0.6633904E+00 Hb(Abramov) -0.2174185E+00 Ex_ueg -0.1191622E+00 Ec_ueg -0.1545243E-01 Delta_ex -0.1121545E+00 Delta_ec 0.1980350E-01 Delta_et -0.2745552E+00 Pxc 0.7711552E+01 Qxc -0.5663368E+01 3,-1 111 3 -1 -3.197243 3.199463 -0.059427 Rho 0.2545758E+00 |GRAD(Rho)| 0.4076092E-13 GRAD(Rho)x 0.2722681E-13 GRAD(Rho)y -0.3016868E-13 GRAD(Rho)z 0.3162889E-14 Laplacian 0.9142161E+00 (-1/4)Del**2(Rho)) -0.2285540E+00 Diamond 0.3466948E+01 Metallicity 0.7707724E+01 Ellipticity 0.8874334E-03 Gb(Abramov) 0.4459746E+00 Vb(Abramov) -0.6633951E+00 Hb(Abramov) -0.2174205E+00 Ex_ueg -0.1191629E+00 Ec_ueg -0.1545251E-01 Delta_ex -0.1121550E+00 Delta_ec 0.1980358E-01 Delta_et -0.2745566E+00 Pxc 0.7711559E+01 Qxc -0.5663369E+01 3,-1 112 3 +3 1.836001 -1.836109 1.836053 Rho 0.1241510E-01 |GRAD(Rho)| 0.2362435E-12 GRAD(Rho)x 0.2012560E-12 GRAD(Rho)y 0.8734256E-13 GRAD(Rho)z -0.8762574E-13 Laplacian 0.5712008E-01 (-1/4)Del**2(Rho)) -0.1428002E-01 Diamond 0.1294759E-02 Metallicity 0.8030476E+00 Ellipticity -0.7074199E+00 Gb(Abramov) 0.1143127E-01 Vb(Abramov) -0.8582518E-02 Hb(Abramov) 0.2848751E-02 Ex_ueg -0.2123172E-02 Ec_ueg -0.4787651E-03 Delta_ex -0.2528327E-02 Delta_ec 0.1973868E-03 Delta_et -0.1902763E-02 Pxc 0.4434685E+01 Qxc -0.1280900E+02 3,+3 113 3 -1 -1.687131 1.688242 0.488959 Rho 0.3965648E-01 |GRAD(Rho)| 0.7820296E-16 GRAD(Rho)x -0.4219262E-16 GRAD(Rho)y 0.5358246E-16 GRAD(Rho)z -0.3826757E-16 Laplacian 0.1576466E+00 (-1/4)Del**2(Rho)) -0.3941165E-01 Diamond 0.5745755E-01 Metallicity 0.2015822E+01 Ellipticity 0.1072655E-01 Gb(Abramov) 0.3951558E-01 Vb(Abramov) -0.3961951E-01 Hb(Abramov) -0.1039260E-03 Ex_ueg -0.9987817E-02 Ec_ueg -0.1851654E-02 Delta_ex -0.1219638E-01 Delta_ec 0.4614978E-02 Delta_et -0.4574852E-01 Pxc 0.5393997E+01 Qxc -0.2642782E+01 3,-1 114 3 -1 -2.782316 -1.810442 0.577353 Rho 0.1429081E+00 |GRAD(Rho)| 0.4806275E-12 GRAD(Rho)x -0.3814803E-12 GRAD(Rho)y 0.2748623E-12 GRAD(Rho)z -0.9963082E-13 Laplacian 0.6033101E+00 (-1/4)Del**2(Rho)) -0.1508275E+00 Diamond 0.1156358E+01 Metallicity 0.4461702E+01 Ellipticity 0.8879524E-02 Gb(Abramov) 0.2127096E+00 Vb(Abramov) -0.2745917E+00 Hb(Abramov) -0.6188207E-01 Ex_ueg -0.5518158E-01 Ec_ueg -0.7991086E-02 Delta_ex -0.6405573E-01 Delta_ec 0.1554536E-01 Delta_et -0.2056250E+00 Pxc 0.6905392E+01 Qxc -0.4120568E+01 3,-1 115 3 -1 -1.975296 -2.973247 -0.839863 Rho 0.1437643E+00 |GRAD(Rho)| 0.5099619E-12 GRAD(Rho)x -0.3130624E-12 GRAD(Rho)y -0.4022037E-12 GRAD(Rho)z -0.1688795E-13 Laplacian 0.5735863E+00 (-1/4)Del**2(Rho)) -0.1433966E+00 Diamond 0.1108963E+01 Metallicity 0.4739869E+01 Ellipticity 0.2972015E-01 Gb(Abramov) 0.2088779E+00 Vb(Abramov) -0.2743592E+00 Hb(Abramov) -0.6548130E-01 Ex_ueg -0.5562285E-01 Ec_ueg -0.8045544E-02 Delta_ex -0.6100622E-01 Delta_ec 0.1478911E-01 Delta_et -0.1958617E+00 Pxc 0.6913498E+01 Qxc -0.4125076E+01 3,-1 116 3 -1 -1.975103 2.973360 0.840013 Rho 0.1438316E+00 |GRAD(Rho)| 0.1222802E-14 GRAD(Rho)x -0.5066206E-15 GRAD(Rho)y -0.4732271E-15 GRAD(Rho)z -0.1007292E-14 Laplacian 0.5738619E+00 (-1/4)Del**2(Rho)) -0.1434655E+00 Diamond 0.1110118E+01 Metallicity 0.4741287E+01 Ellipticity 0.2979015E-01 Gb(Abramov) 0.2090122E+00 Vb(Abramov) -0.2745588E+00 Hb(Abramov) -0.6554667E-01 Ex_ueg -0.5565755E-01 Ec_ueg -0.8049824E-02 Delta_ex -0.6104248E-01 Delta_ec 0.1479448E-01 Delta_et -0.1959463E+00 Pxc 0.6914133E+01 Qxc -0.4126030E+01 3,-1 117 3 +1 -0.541171 1.685516 -0.541453 Rho 0.8677123E-02 |GRAD(Rho)| 0.4968154E-14 GRAD(Rho)x 0.1059902E-14 GRAD(Rho)y -0.3567567E-14 GRAD(Rho)z 0.3291143E-14 Laplacian 0.3611403E-01 (-1/4)Del**2(Rho)) -0.9028508E-02 Diamond 0.1033764E-02 Metallicity 0.6991389E+00 Ellipticity -0.1438052E+01 Gb(Abramov) 0.7071036E-02 Vb(Abramov) -0.5113563E-02 Hb(Abramov) 0.1957472E-02 Ex_ueg -0.1316900E-02 Ec_ueg -0.3084322E-03 Delta_ex -0.1678264E-02 Delta_ec 0.5522822E-03 Delta_et -0.3747769E-02 Pxc 0.4269658E+01 Qxc -0.3038780E+01 3,+1 118 3 +3 0.000107 2.355263 -0.000128 Rho 0.4414085E-02 |GRAD(Rho)| 0.3358252E-15 GRAD(Rho)x -0.1498570E-15 GRAD(Rho)y -0.2337821E-15 GRAD(Rho)z 0.1888579E-15 Laplacian 0.1826916E-01 (-1/4)Del**2(Rho)) -0.4567291E-02 Diamond 0.1618090E-03 Metallicity 0.4480182E+00 Ellipticity -0.2770353E+00 Gb(Abramov) 0.3385899E-02 Vb(Abramov) -0.2204507E-02 Hb(Abramov) 0.1181392E-02 Ex_ueg -0.5347769E-03 Ec_ueg -0.1217863E-03 Delta_ex -0.6692696E-03 Delta_ec 0.1866392E-03 Delta_et -0.1135309E-02 Pxc 0.4391110E+01 Qxc -0.3585901E+01 3,+3 119 3 -1 -0.840006 1.975332 2.973184 Rho 0.1438910E+00 |GRAD(Rho)| 0.2765694E-15 GRAD(Rho)x 0.1594455E-15 GRAD(Rho)y 0.7754756E-16 GRAD(Rho)z 0.2122597E-15 Laplacian 0.5741399E+00 (-1/4)Del**2(Rho)) -0.1435350E+00 Diamond 0.1111205E+01 Metallicity 0.4742252E+01 Ellipticity 0.2984430E-01 Gb(Abramov) 0.2091365E+00 Vb(Abramov) -0.2747380E+00 Hb(Abramov) -0.6560152E-01 Ex_ueg -0.5568819E-01 Ec_ueg -0.8053602E-02 Delta_ex -0.6107820E-01 Delta_ec 0.1480014E-01 Delta_et -0.1960331E+00 Pxc 0.6914694E+01 Qxc -0.4126866E+01 3,-1 120 3 +1 -0.541402 0.541190 -1.685577 Rho 0.8677537E-02 |GRAD(Rho)| 0.6132307E-15 GRAD(Rho)x 0.2187920E-15 GRAD(Rho)y 0.5279522E-15 GRAD(Rho)z -0.2223699E-15 Laplacian 0.3611636E-01 (-1/4)Del**2(Rho)) -0.9029090E-02 Diamond 0.1033838E-02 Metallicity 0.6991494E+00 Ellipticity -0.1437989E+01 Gb(Abramov) 0.7071507E-02 Vb(Abramov) -0.5113924E-02 Hb(Abramov) 0.1957583E-02 Ex_ueg -0.1316984E-02 Ec_ueg -0.3084507E-03 Delta_ex -0.1678366E-02 Delta_ec 0.5522706E-03 Delta_et -0.3747772E-02 Pxc 0.4269673E+01 Qxc -0.3039028E+01 3,+1 121 3 -1 -0.577126 2.781940 -1.810587 Rho 0.1427711E+00 |GRAD(Rho)| 0.2602741E-13 GRAD(Rho)x -0.2525911E-13 GRAD(Rho)y -0.6174423E-14 GRAD(Rho)z -0.1131433E-14 Laplacian 0.6027336E+00 (-1/4)Del**2(Rho)) -0.1506834E+00 Diamond 0.1153971E+01 Metallicity 0.4458839E+01 Ellipticity 0.8871362E-02 Gb(Abramov) 0.2124344E+00 Vb(Abramov) -0.2741855E+00 Hb(Abramov) -0.6175104E-01 Ex_ueg -0.5511109E-01 Ec_ueg -0.7982381E-02 Delta_ex -0.6398006E-01 Delta_ec 0.1553506E-01 Delta_et -0.2054614E+00 Pxc 0.6904091E+01 Qxc -0.4118430E+01 3,-1 122 3 -1 -0.839682 2.972374 1.976303 Rho 0.1433464E+00 |GRAD(Rho)| 0.7567363E-13 GRAD(Rho)x 0.5232361E-13 GRAD(Rho)y -0.3114542E-13 GRAD(Rho)z 0.4492996E-13 Laplacian 0.5718724E+00 (-1/4)Del**2(Rho)) -0.1429681E+00 Diamond 0.1101798E+01 Metallicity 0.4731060E+01 Ellipticity 0.2932395E-01 Gb(Abramov) 0.2080438E+00 Vb(Abramov) -0.2731196E+00 Hb(Abramov) -0.6507575E-01 Ex_ueg -0.5540734E-01 Ec_ueg -0.8018955E-02 Delta_ex -0.6078081E-01 Delta_ec 0.1475559E-01 Delta_et -0.1953340E+00 Pxc 0.6909546E+01 Qxc -0.4119171E+01 3,-1 123 3 -1 -0.577494 1.809211 -2.783035 Rho 0.1433442E+00 |GRAD(Rho)| 0.4352447E-12 GRAD(Rho)x 0.3058737E-12 GRAD(Rho)y 0.2997895E-12 GRAD(Rho)z 0.7749486E-13 Laplacian 0.6051952E+00 (-1/4)Del**2(Rho)) -0.1512988E+00 Diamond 0.1164107E+01 Metallicity 0.4470452E+01 Ellipticity 0.8972547E-02 Gb(Abramov) 0.2135949E+00 Vb(Abramov) -0.2758909E+00 Hb(Abramov) -0.6229607E-01 Ex_ueg -0.5540625E-01 Ec_ueg -0.8018820E-02 Delta_ex -0.6430245E-01 Delta_ec 0.1558009E-01 Delta_et -0.2061724E+00 Pxc 0.6909526E+01 Qxc -0.4127220E+01 3,-1 124 3 -1 -0.488974 1.687255 1.688138 Rho 0.3966457E-01 |GRAD(Rho)| 0.2022764E-15 GRAD(Rho)x -0.1530692E-15 GRAD(Rho)y 0.6503074E-16 GRAD(Rho)z 0.1151372E-15 Laplacian 0.1576871E+00 (-1/4)Del**2(Rho)) -0.3942179E-01 Diamond 0.5749023E-01 Metallicity 0.2015989E+01 Ellipticity 0.1073274E-01 Gb(Abramov) 0.3952684E-01 Vb(Abramov) -0.3963189E-01 Hb(Abramov) -0.1050498E-03 Ex_ueg -0.9990534E-02 Ec_ueg -0.1852088E-02 Delta_ex -0.1220025E-01 Delta_ec 0.4616363E-02 Delta_et -0.4576479E-01 Pxc 0.5394201E+01 Qxc -0.2642827E+01 3,-1 125 3 -1 -0.059247 3.197237 -3.199425 Rho 0.2545759E+00 |GRAD(Rho)| 0.1625765E-15 GRAD(Rho)x 0.1079323E-15 GRAD(Rho)y -0.1073360E-16 GRAD(Rho)z -0.1211054E-15 Laplacian 0.9142294E+00 (-1/4)Del**2(Rho)) -0.2285573E+00 Diamond 0.3466985E+01 Metallicity 0.7707615E+01 Ellipticity 0.8887334E-03 Gb(Abramov) 0.4459769E+00 Vb(Abramov) -0.6633965E+00 Hb(Abramov) -0.2174196E+00 Ex_ueg -0.1191630E+00 Ec_ueg -0.1545251E-01 Delta_ex -0.1121565E+00 Delta_ec 0.1980373E-01 Delta_et -0.2745580E+00 Pxc 0.7711559E+01 Qxc -0.5663405E+01 3,-1 126 3 -1 0.059487 3.197469 3.199182 Rho 0.2545833E+00 |GRAD(Rho)| 0.3306368E-15 GRAD(Rho)x -0.3829944E-16 GRAD(Rho)y 0.3271038E-15 GRAD(Rho)z 0.2927346E-16 Laplacian 0.9142588E+00 (-1/4)Del**2(Rho)) -0.2285647E+00 Diamond 0.3467238E+01 Metallicity 0.7707744E+01 Ellipticity 0.8885929E-03 Gb(Abramov) 0.4459962E+00 Vb(Abramov) -0.6634277E+00 Hb(Abramov) -0.2174315E+00 Ex_ueg -0.1191676E+00 Ec_ueg -0.1545304E-01 Delta_ex -0.1121611E+00 Delta_ec 0.1980436E-01 Delta_et -0.2745677E+00 Pxc 0.7711600E+01 Qxc -0.5663456E+01 3,-1 127 3 -1 0.840200 1.975162 -2.973348 Rho 0.1439336E+00 |GRAD(Rho)| 0.9477968E-15 GRAD(Rho)x -0.7329342E-15 GRAD(Rho)y 0.5763619E-15 GRAD(Rho)z 0.1700978E-15 Laplacian 0.5742981E+00 (-1/4)Del**2(Rho)) -0.1435745E+00 Diamond 0.1111891E+01 Metallicity 0.4743289E+01 Ellipticity 0.2990437E-01 Gb(Abramov) 0.2092189E+00 Vb(Abramov) -0.2748634E+00 Hb(Abramov) -0.6564441E-01 Ex_ueg -0.5571021E-01 Ec_ueg -0.8056318E-02 Delta_ex -0.6109928E-01 Delta_ec 0.1480283E-01 Delta_et -0.1960766E+00 Pxc 0.6915096E+01 Qxc -0.4127541E+01 3,-1 128 3 -1 0.577579 1.809362 2.782920 Rho 0.1433219E+00 |GRAD(Rho)| 0.3873921E-15 GRAD(Rho)x 0.2683400E-16 GRAD(Rho)y -0.3688320E-15 GRAD(Rho)z 0.1153930E-15 Laplacian 0.6050938E+00 (-1/4)Del**2(Rho)) -0.1512735E+00 Diamond 0.1163708E+01 Metallicity 0.4470041E+01 Ellipticity 0.8955776E-02 Gb(Abramov) 0.2135487E+00 Vb(Abramov) -0.2758240E+00 Hb(Abramov) -0.6227527E-01 Ex_ueg -0.5539474E-01 Ec_ueg -0.8017401E-02 Delta_ex -0.6428937E-01 Delta_ec 0.1557833E-01 Delta_et -0.2061449E+00 Pxc 0.6909315E+01 Qxc -0.4126847E+01 3,-1 129 3 -1 0.839712 2.972172 -1.976379 Rho 0.1433512E+00 |GRAD(Rho)| 0.6066957E-13 GRAD(Rho)x -0.4314989E-13 GRAD(Rho)y -0.2092136E-13 GRAD(Rho)z -0.3716423E-13 Laplacian 0.5719038E+00 (-1/4)Del**2(Rho)) -0.1429759E+00 Diamond 0.1101920E+01 Metallicity 0.4731068E+01 Ellipticity 0.2930524E-01 Gb(Abramov) 0.2080555E+00 Vb(Abramov) -0.2731350E+00 Hb(Abramov) -0.6507951E-01 Ex_ueg -0.5540985E-01 Ec_ueg -0.8019265E-02 Delta_ex -0.6078483E-01 Delta_ec 0.1475660E-01 Delta_et -0.1953490E+00 Pxc 0.6909592E+01 Qxc -0.4119163E+01 3,-1 130 3 -1 0.577261 2.782066 1.810409 Rho 0.1428424E+00 |GRAD(Rho)| 0.2606101E-15 GRAD(Rho)x -0.1123776E-15 GRAD(Rho)y 0.5598549E-16 GRAD(Rho)z -0.2283736E-15 Laplacian 0.6030477E+00 (-1/4)Del**2(Rho)) -0.1507619E+00 Diamond 0.1155250E+01 Metallicity 0.4460225E+01 Ellipticity 0.8879673E-02 Gb(Abramov) 0.2125800E+00 Vb(Abramov) -0.2743980E+00 Hb(Abramov) -0.6181805E-01 Ex_ueg -0.5514777E-01 Ec_ueg -0.7986911E-02 Delta_ex -0.6402104E-01 Delta_ec 0.1554098E-01 Delta_et -0.2055543E+00 Pxc 0.6904768E+01 Qxc -0.4119499E+01 3,-1 131 3 -1 0.489089 1.687069 -1.688283 Rho 0.3966449E-01 |GRAD(Rho)| 0.1125395E-15 GRAD(Rho)x 0.2656909E-16 GRAD(Rho)y -0.9852073E-16 GRAD(Rho)z 0.4746455E-16 Laplacian 0.1576871E+00 (-1/4)Del**2(Rho)) -0.3942177E-01 Diamond 0.5748959E-01 Metallicity 0.2015983E+01 Ellipticity 0.1073954E-01 Gb(Abramov) 0.3952678E-01 Vb(Abramov) -0.3963179E-01 Hb(Abramov) -0.1050115E-03 Ex_ueg -0.9990506E-02 Ec_ueg -0.1852083E-02 Delta_ex -0.1220021E-01 Delta_ec 0.4616314E-02 Delta_et -0.4576427E-01 Pxc 0.5394199E+01 Qxc -0.2642847E+01 3,-1 132 3 -1 1.688118 0.488764 -1.687260 Rho 0.3966652E-01 |GRAD(Rho)| 0.4753053E-15 GRAD(Rho)x 0.2920462E-15 GRAD(Rho)y -0.1739605E-15 GRAD(Rho)z -0.3322076E-15 Laplacian 0.1576917E+00 (-1/4)Del**2(Rho)) -0.3942292E-01 Diamond 0.5749582E-01 Metallicity 0.2016096E+01 Ellipticity 0.1071598E-01 Gb(Abramov) 0.3952868E-01 Vb(Abramov) -0.3963443E-01 Hb(Abramov) -0.1057561E-03 Ex_ueg -0.9991188E-02 Ec_ueg -0.1852192E-02 Delta_ex -0.1220075E-01 Delta_ec 0.4616505E-02 Delta_et -0.4576680E-01 Pxc 0.5394251E+01 Qxc -0.2642855E+01 3,-1 133 3 -1 1.810520 0.577289 2.781966 Rho 0.1429047E+00 |GRAD(Rho)| 0.1127743E-15 GRAD(Rho)x 0.7552823E-16 GRAD(Rho)y 0.7643625E-16 GRAD(Rho)z -0.3422013E-16 Laplacian 0.6033299E+00 (-1/4)Del**2(Rho)) -0.1508325E+00 Diamond 0.1156381E+01 Metallicity 0.4461377E+01 Ellipticity 0.8849405E-02 Gb(Abramov) 0.2127084E+00 Vb(Abramov) -0.2745844E+00 Hb(Abramov) -0.6187594E-01 Ex_ueg -0.5517982E-01 Ec_ueg -0.7990869E-02 Delta_ex -0.6405766E-01 Delta_ec 0.1554632E-01 Delta_et -0.2056376E+00 Pxc 0.6905359E+01 Qxc -0.4120439E+01 3,-1 134 3 -1 2.782274 -1.810616 -0.577205 Rho 0.1428536E+00 |GRAD(Rho)| 0.2220832E-15 GRAD(Rho)x -0.2730834E-16 GRAD(Rho)y -0.1878380E-15 GRAD(Rho)z 0.1152913E-15 Laplacian 0.6030669E+00 (-1/4)Del**2(Rho)) -0.1507667E+00 Diamond 0.1155379E+01 Metallicity 0.4460668E+01 Ellipticity 0.8881829E-02 Gb(Abramov) 0.2125979E+00 Vb(Abramov) -0.2744290E+00 Hb(Abramov) -0.6183114E-01 Ex_ueg -0.5515355E-01 Ec_ueg -0.7987626E-02 Delta_ex -0.6402412E-01 Delta_ec 0.1554084E-01 Delta_et -0.2055542E+00 Pxc 0.6904875E+01 Qxc -0.4119733E+01 3,-1 135 3 -1 2.972232 -1.976566 0.839819 Rho 0.1433329E+00 |GRAD(Rho)| 0.5568700E-14 GRAD(Rho)x -0.1959912E-14 GRAD(Rho)y -0.3358167E-14 GRAD(Rho)z -0.3986462E-14 Laplacian 0.5717958E+00 (-1/4)Del**2(Rho)) -0.1429489E+00 Diamond 0.1101521E+01 Metallicity 0.4730955E+01 Ellipticity 0.2929931E-01 Gb(Abramov) 0.2080135E+00 Vb(Abramov) -0.2730780E+00 Hb(Abramov) -0.6506453E-01 Ex_ueg -0.5540042E-01 Ec_ueg -0.8018101E-02 Delta_ex -0.6077122E-01 Delta_ec 0.1475384E-01 Delta_et -0.1953080E+00 Pxc 0.6909419E+01 Qxc -0.4119009E+01 3,-1 136 3 +1 1.756817 -1.756711 -1.756636 Rho 0.1244497E-01 |GRAD(Rho)| 0.3065431E-16 GRAD(Rho)x 0.2947176E-17 GRAD(Rho)y 0.3508967E-17 GRAD(Rho)z -0.3030987E-16 Laplacian 0.6294387E-01 (-1/4)Del**2(Rho)) -0.1573597E-01 Diamond 0.2635570E-02 Metallicity 0.7316710E+00 Ellipticity -0.1241149E+01 Gb(Abramov) 0.1240957E-01 Vb(Abramov) -0.9083174E-02 Hb(Abramov) 0.3326397E-02 Ex_ueg -0.2129986E-02 Ec_ueg -0.4801489E-03 Delta_ex -0.3119527E-02 Delta_ec 0.8092584E-03 Delta_et -0.6128111E-02 Pxc 0.4436093E+01 Qxc -0.3854797E+01 3,+1 137 3 -1 -1.809261 2.782996 -0.577617 Rho 0.1434391E+00 |GRAD(Rho)| 0.1280103E-15 GRAD(Rho)x -0.6548581E-16 GRAD(Rho)y 0.1828914E-16 GRAD(Rho)z -0.1084609E-15 Laplacian 0.6056260E+00 (-1/4)Del**2(Rho)) -0.1514065E+00 Diamond 0.1165831E+01 Metallicity 0.4472199E+01 Ellipticity 0.8943884E-02 Gb(Abramov) 0.2137910E+00 Vb(Abramov) -0.2761755E+00 Hb(Abramov) -0.6238451E-01 Ex_ueg -0.5545513E-01 Ec_ueg -0.8024852E-02 Delta_ex -0.6435828E-01 Delta_ec 0.1558806E-01 Delta_et -0.2062968E+00 Pxc 0.6910424E+01 Qxc -0.4128690E+01 3,-1 138 3 +1 -1.685750 0.541432 -0.541128 Rho 0.8675526E-02 |GRAD(Rho)| 0.4633804E-16 GRAD(Rho)x 0.1976636E-16 GRAD(Rho)y -0.3988848E-16 GRAD(Rho)z 0.1286135E-16 Laplacian 0.3610564E-01 (-1/4)Del**2(Rho)) -0.9026409E-02 Diamond 0.1033136E-02 Metallicity 0.6990870E+00 Ellipticity -0.1437893E+01 Gb(Abramov) 0.7069314E-02 Vb(Abramov) -0.5112218E-02 Hb(Abramov) 0.1957096E-02 Ex_ueg -0.1316577E-02 Ec_ueg -0.3083606E-03 Delta_ex -0.1677740E-02 Delta_ec 0.5520520E-03 Delta_et -0.3746102E-02 Pxc 0.4269600E+01 Qxc -0.3039097E+01 3,+1 139 3 -1 -0.363738 -0.363693 -0.363657 Rho 0.2027986E+00 |GRAD(Rho)| 0.1231034E-15 GRAD(Rho)x -0.4918886E-17 GRAD(Rho)y 0.6346063E-16 GRAD(Rho)z 0.1053707E-15 Laplacian 0.7287926E+00 (-1/4)Del**2(Rho)) -0.1821981E+00 Diamond 0.2360251E+01 Metallicity 0.6618873E+01 Ellipticity 0.1106715E-04 Gb(Abramov) 0.3224565E+00 Vb(Abramov) -0.4627149E+00 Hb(Abramov) -0.1402584E+00 Ex_ueg -0.8799776E-01 Ec_ueg -0.1190552E-01 Delta_ex -0.8600146E-01 Delta_ec 0.1993150E-01 Delta_et -0.2842952E+00 Pxc 0.7391343E+01 Qxc -0.4314850E+01 3,-1 140 3 -1 -1.688083 0.489037 1.687227 Rho 0.3966716E-01 |GRAD(Rho)| 0.1832310E-15 GRAD(Rho)x 0.1140335E-15 GRAD(Rho)y 0.6359534E-16 GRAD(Rho)z -0.1285519E-15 Laplacian 0.1576985E+00 (-1/4)Del**2(Rho)) -0.3942463E-01 Diamond 0.5749932E-01 Metallicity 0.2016063E+01 Ellipticity 0.1072801E-01 Gb(Abramov) 0.3953018E-01 Vb(Abramov) -0.3963572E-01 Hb(Abramov) -0.1055462E-03 Ex_ueg -0.9991405E-02 Ec_ueg -0.1852227E-02 Delta_ex -0.1220132E-01 Delta_ec 0.4616676E-02 Delta_et -0.4576870E-01 Pxc 0.5394267E+01 Qxc -0.2642879E+01 3,-1 141 3 -1 0.363692 0.363641 -0.363727 Rho 0.2028012E+00 |GRAD(Rho)| 0.2527720E-14 GRAD(Rho)x -0.1770857E-14 GRAD(Rho)y -0.8629057E-15 GRAD(Rho)z 0.1583927E-14 Laplacian 0.7288126E+00 (-1/4)Del**2(Rho)) -0.1822031E+00 Diamond 0.2360343E+01 Metallicity 0.6618832E+01 Ellipticity 0.3313734E-05 Gb(Abramov) 0.3224641E+00 Vb(Abramov) -0.4627251E+00 Hb(Abramov) -0.1402610E+00 Ex_ueg -0.8799925E-01 Ec_ueg -0.1190569E-01 Delta_ex -0.8600403E-01 Delta_ec 0.1993189E-01 Delta_et -0.2843009E+00 Pxc 0.7391361E+01 Qxc -0.4314896E+01 3,-1 142 3 -1 1.687262 -1.688204 0.489010 Rho 0.3965297E-01 |GRAD(Rho)| 0.5563711E-15 GRAD(Rho)x 0.3451966E-15 GRAD(Rho)y -0.3996615E-15 GRAD(Rho)z -0.1750965E-15 Laplacian 0.1576286E+00 (-1/4)Del**2(Rho)) -0.3940714E-01 Diamond 0.5744366E-01 Metallicity 0.2015755E+01 Ellipticity 0.1072373E-01 Gb(Abramov) 0.3951062E-01 Vb(Abramov) -0.3961410E-01 Hb(Abramov) -0.1034783E-03 Ex_ueg -0.9986640E-02 Ec_ueg -0.1851466E-02 Delta_ex -0.1219469E-01 Delta_ec 0.4614409E-02 Delta_et -0.4574180E-01 Pxc 0.5393908E+01 Qxc -0.2642742E+01 3,-1 143 3 -1 2.783139 0.577555 1.809152 Rho 0.1433860E+00 |GRAD(Rho)| 0.1277079E-15 GRAD(Rho)x -0.1025791E-15 GRAD(Rho)y 0.6062045E-16 GRAD(Rho)z 0.4595662E-16 Laplacian 0.6053746E+00 (-1/4)Del**2(Rho)) -0.1513436E+00 Diamond 0.1164846E+01 Metallicity 0.4471299E+01 Ellipticity 0.8956472E-02 Gb(Abramov) 0.2136796E+00 Vb(Abramov) -0.2760155E+00 Hb(Abramov) -0.6233591E-01 Ex_ueg -0.5542779E-01 Ec_ueg -0.8021478E-02 Delta_ex -0.6432593E-01 Delta_ec 0.1558333E-01 Delta_et -0.2062235E+00 Pxc 0.6909922E+01 Qxc -0.4127870E+01 3,-1 144 3 -1 1.976249 -0.839574 2.972140 Rho 0.1432877E+00 |GRAD(Rho)| 0.7311587E-14 GRAD(Rho)x 0.8295502E-16 GRAD(Rho)y 0.7295976E-14 GRAD(Rho)z -0.4702727E-15 Laplacian 0.5716419E+00 (-1/4)Del**2(Rho)) -0.1429105E+00 Diamond 0.1100852E+01 Metallicity 0.4729740E+01 Ellipticity 0.2923223E-01 Gb(Abramov) 0.2079285E+00 Vb(Abramov) -0.2729466E+00 Hb(Abramov) -0.6501807E-01 Ex_ueg -0.5537710E-01 Ec_ueg -0.8015223E-02 Delta_ex -0.6075065E-01 Delta_ec 0.1475186E-01 Delta_et -0.1952744E+00 Pxc 0.6908990E+01 Qxc -0.4118169E+01 3,-1 145 3 -1 2.783123 -0.577772 -1.809302 Rho 0.1433539E+00 |GRAD(Rho)| 0.8463740E-13 GRAD(Rho)x -0.2051131E-13 GRAD(Rho)y -0.8190791E-13 GRAD(Rho)z -0.5819808E-14 Laplacian 0.6052206E+00 (-1/4)Del**2(Rho)) -0.1513051E+00 Diamond 0.1164235E+01 Metallicity 0.4470767E+01 Ellipticity 0.8938148E-02 Gb(Abramov) 0.2136118E+00 Vb(Abramov) -0.2759184E+00 Hb(Abramov) -0.6230662E-01 Ex_ueg -0.5541122E-01 Ec_ueg -0.8019434E-02 Delta_ex -0.6430603E-01 Delta_ec 0.1558019E-01 Delta_et -0.2061751E+00 Pxc 0.6909617E+01 Qxc -0.4127423E+01 3,-1 146 3 -1 2.973159 -0.840173 1.975234 Rho 0.1438096E+00 |GRAD(Rho)| 0.5790101E-13 GRAD(Rho)x -0.2478352E-13 GRAD(Rho)y 0.3939571E-13 GRAD(Rho)z 0.3444245E-13 Laplacian 0.5737820E+00 (-1/4)Del**2(Rho)) -0.1434455E+00 Diamond 0.1109733E+01 Metallicity 0.4740740E+01 Ellipticity 0.2980435E-01 Gb(Abramov) 0.2089700E+00 Vb(Abramov) -0.2744944E+00 Hb(Abramov) -0.6552447E-01 Ex_ueg -0.5564622E-01 Ec_ueg -0.8048426E-02 Delta_ex -0.6103143E-01 Delta_ec 0.1479248E-01 Delta_et -0.1959143E+00 Pxc 0.6913926E+01 Qxc -0.4125841E+01 3,-1 147 3 -1 3.199153 -0.059626 -3.197464 Rho 0.2545753E+00 |GRAD(Rho)| 0.1341143E-13 GRAD(Rho)x -0.6756748E-15 GRAD(Rho)y -0.8990963E-14 GRAD(Rho)z -0.9928365E-14 Laplacian 0.9142302E+00 (-1/4)Del**2(Rho)) -0.2285575E+00 Diamond 0.3466980E+01 Metallicity 0.7707581E+01 Ellipticity 0.8889916E-03 Gb(Abramov) 0.4459760E+00 Vb(Abramov) -0.6633944E+00 Hb(Abramov) -0.2174184E+00 Ex_ueg -0.1191626E+00 Ec_ueg -0.1545248E-01 Delta_ex -0.1121566E+00 Delta_ec 0.1980377E-01 Delta_et -0.2745587E+00 Pxc 0.7711556E+01 Qxc -0.5663395E+01 3,-1 148 3 -1 3.199261 0.059446 3.197247 Rho 0.2545789E+00 |GRAD(Rho)| 0.3993414E-15 GRAD(Rho)x -0.3867349E-15 GRAD(Rho)y -0.9115430E-16 GRAD(Rho)z 0.4000706E-16 Laplacian 0.9142568E+00 (-1/4)Del**2(Rho)) -0.2285642E+00 Diamond 0.3467138E+01 Metallicity 0.7707536E+01 Ellipticity 0.8876033E-03 Gb(Abramov) 0.4459872E+00 Vb(Abramov) -0.6634103E+00 Hb(Abramov) -0.2174230E+00 Ex_ueg -0.1191649E+00 Ec_ueg -0.1545272E-01 Delta_ex -0.1121602E+00 Delta_ec 0.1980425E-01 Delta_et -0.2745654E+00 Pxc 0.7711575E+01 Qxc -0.5663442E+01 3,-1 149 3 -1 -1.687332 -1.688133 -0.488827 Rho 0.3965672E-01 |GRAD(Rho)| 0.1192794E-15 GRAD(Rho)x 0.9444121E-16 GRAD(Rho)y 0.3721545E-16 GRAD(Rho)z -0.6263745E-16 Laplacian 0.1576465E+00 (-1/4)Del**2(Rho)) -0.3941161E-01 Diamond 0.5745867E-01 Metallicity 0.2015844E+01 Ellipticity 0.1071650E-01 Gb(Abramov) 0.3951569E-01 Vb(Abramov) -0.3961976E-01 Hb(Abramov) -0.1040741E-03 Ex_ueg -0.9987899E-02 Ec_ueg -0.1851667E-02 Delta_ex -0.1219643E-01 Delta_ec 0.4615046E-02 Delta_et -0.4574929E-01 Pxc 0.5394003E+01 Qxc -0.2642753E+01 3,-1 150 3 +3 1.835963 1.835996 -1.836104 Rho 0.1241479E-01 |GRAD(Rho)| 0.2510411E-16 GRAD(Rho)x 0.2445753E-16 GRAD(Rho)y 0.3848827E-17 GRAD(Rho)z -0.4151106E-17 Laplacian 0.5711981E-01 (-1/4)Del**2(Rho)) -0.1427995E-01 Diamond 0.1294704E-02 Metallicity 0.8030182E+00 Ellipticity -0.7073454E+00 Gb(Abramov) 0.1143115E-01 Vb(Abramov) -0.8582338E-02 Hb(Abramov) 0.2848807E-02 Ex_ueg -0.2123102E-02 Ec_ueg -0.4787509E-03 Delta_ex -0.2528296E-02 Delta_ec 0.1973840E-03 Delta_et -0.1902738E-02 Pxc 0.4434670E+01 Qxc -0.1280902E+02 3,+3 151 3 -1 -3.197477 -3.199287 0.059638 Rho 0.2545794E+00 |GRAD(Rho)| 0.3676125E-15 GRAD(Rho)x 0.3215744E-15 GRAD(Rho)y -0.1747734E-15 GRAD(Rho)z 0.3439631E-16 Laplacian 0.9142305E+00 (-1/4)Del**2(Rho)) -0.2285576E+00 Diamond 0.3467068E+01 Metallicity 0.7707785E+01 Ellipticity 0.8881378E-03 Gb(Abramov) 0.4459839E+00 Vb(Abramov) -0.6634102E+00 Hb(Abramov) -0.2174263E+00 Ex_ueg -0.1191652E+00 Ec_ueg -0.1545276E-01 Delta_ex -0.1121572E+00 Delta_ec 0.1980385E-01 Delta_et -0.2745607E+00 Pxc 0.7711578E+01 Qxc -0.5663402E+01 3,-1 152 3 +3 -1.836056 -1.836124 -1.835941 Rho 0.1241496E-01 |GRAD(Rho)| 0.1509784E-16 GRAD(Rho)x 0.3417655E-17 GRAD(Rho)y -0.1116009E-16 GRAD(Rho)z 0.9576887E-17 Laplacian 0.5711898E-01 (-1/4)Del**2(Rho)) -0.1427975E-01 Diamond 0.1294695E-02 Metallicity 0.8030480E+00 Ellipticity -0.7073648E+00 Gb(Abramov) 0.1143105E-01 Vb(Abramov) -0.8582356E-02 Hb(Abramov) 0.2848695E-02 Ex_ueg -0.2123141E-02 Ec_ueg -0.4787587E-03 Delta_ex -0.2528265E-02 Delta_ec 0.1973739E-03 Delta_et -0.1902663E-02 Pxc 0.4434678E+01 Qxc -0.1280952E+02 3,+3 153 3 -1 -0.363676 0.363700 0.363706 Rho 0.2028029E+00 |GRAD(Rho)| 0.7778541E-16 GRAD(Rho)x -0.2125382E-16 GRAD(Rho)y -0.7184021E-16 GRAD(Rho)z -0.2092441E-16 Laplacian 0.7288340E+00 (-1/4)Del**2(Rho)) -0.1822085E+00 Diamond 0.2360436E+01 Metallicity 0.6618730E+01 Ellipticity 0.3292138E-05 Gb(Abramov) 0.3224705E+00 Vb(Abramov) -0.4627325E+00 Hb(Abramov) -0.1402620E+00 Ex_ueg -0.8800023E-01 Ec_ueg -0.1190580E-01 Delta_ex -0.8600673E-01 Delta_ec 0.1993243E-01 Delta_et -0.2843088E+00 Pxc 0.7391373E+01 Qxc -0.4314915E+01 3,-1 154 3 -1 0.840065 -1.975077 2.973187 Rho 0.1439239E+00 |GRAD(Rho)| 0.5172916E-13 GRAD(Rho)x -0.3481236E-13 GRAD(Rho)y -0.3076283E-13 GRAD(Rho)z -0.2275200E-13 Laplacian 0.5742821E+00 (-1/4)Del**2(Rho)) -0.1435705E+00 Diamond 0.1111796E+01 Metallicity 0.4742884E+01 Ellipticity 0.2986443E-01 Gb(Abramov) 0.2092034E+00 Vb(Abramov) -0.2748363E+00 Hb(Abramov) -0.6563288E-01 Ex_ueg -0.5570516E-01 Ec_ueg -0.8055695E-02 Delta_ex -0.6109684E-01 Delta_ec 0.1480318E-01 Delta_et -0.1960804E+00 Pxc 0.6915004E+01 Qxc -0.4127279E+01 3,-1 155 3 -1 0.577347 -1.809373 -2.782871 Rho 0.1432485E+00 |GRAD(Rho)| 0.3533190E-15 GRAD(Rho)x 0.3111118E-15 GRAD(Rho)y -0.1530351E-15 GRAD(Rho)z -0.6799981E-16 Laplacian 0.6047788E+00 (-1/4)Del**2(Rho)) -0.1511947E+00 Diamond 0.1162406E+01 Metallicity 0.4468551E+01 Ellipticity 0.8948538E-02 Gb(Abramov) 0.2134000E+00 Vb(Abramov) -0.2756053E+00 Hb(Abramov) -0.6220531E-01 Ex_ueg -0.5535691E-01 Ec_ueg -0.8012731E-02 Delta_ex -0.6424808E-01 Delta_ec 0.1557254E-01 Delta_et -0.2060535E+00 Pxc 0.6908619E+01 Qxc -0.4125729E+01 3,-1 156 3 -1 1.976345 0.839598 -2.972298 Rho 0.1432395E+00 |GRAD(Rho)| 0.5695221E-15 GRAD(Rho)x 0.2952689E-15 GRAD(Rho)y -0.4395627E-15 GRAD(Rho)z 0.2096576E-15 Laplacian 0.5714060E+00 (-1/4)Del**2(Rho)) -0.1428515E+00 Diamond 0.1099927E+01 Metallicity 0.4729042E+01 Ellipticity 0.2922146E-01 Gb(Abramov) 0.2078261E+00 Vb(Abramov) -0.2728007E+00 Hb(Abramov) -0.6497462E-01 Ex_ueg -0.5535228E-01 Ec_ueg -0.8012160E-02 Delta_ex -0.6072033E-01 Delta_ec 0.1474650E-01 Delta_et -0.1951926E+00 Pxc 0.6908534E+01 Qxc -0.4117610E+01 3,-1 157 3 -1 1.687227 1.688078 -0.489097 Rho 0.3965842E-01 |GRAD(Rho)| 0.4774494E-16 GRAD(Rho)x -0.1399722E-17 GRAD(Rho)y 0.3942197E-16 GRAD(Rho)z 0.2689848E-16 Laplacian 0.1576570E+00 (-1/4)Del**2(Rho)) -0.3941425E-01 Diamond 0.5746495E-01 Metallicity 0.2015853E+01 Ellipticity 0.1073723E-01 Gb(Abramov) 0.3951839E-01 Vb(Abramov) -0.3962253E-01 Hb(Abramov) -0.1041396E-03 Ex_ueg -0.9988468E-02 Ec_ueg -0.1851758E-02 Delta_ex -0.1219732E-01 Delta_ec 0.4615259E-02 Delta_et -0.4575191E-01 Pxc 0.5394046E+01 Qxc -0.2642824E+01 3,-1 158 3 -1 -3.199140 -0.059220 3.197465 Rho 0.2545768E+00 |GRAD(Rho)| 0.2254114E-12 GRAD(Rho)x 0.1567799E-12 GRAD(Rho)y 0.3900409E-13 GRAD(Rho)z -0.1571912E-12 Laplacian 0.9142359E+00 (-1/4)Del**2(Rho)) -0.2285590E+00 Diamond 0.3467030E+01 Metallicity 0.7707609E+01 Ellipticity 0.8880222E-03 Gb(Abramov) 0.4459798E+00 Vb(Abramov) -0.6634007E+00 Hb(Abramov) -0.2174209E+00 Ex_ueg -0.1191636E+00 Ec_ueg -0.1545258E-01 Delta_ex -0.1121575E+00 Delta_ec 0.1980389E-01 Delta_et -0.2745605E+00 Pxc 0.7711564E+01 Qxc -0.5663405E+01 3,-1 159 3 -1 0.839785 -2.972292 1.976377 Rho 0.1433801E+00 |GRAD(Rho)| 0.1638055E-14 GRAD(Rho)x -0.1159744E-14 GRAD(Rho)y 0.4710723E-15 GRAD(Rho)z 0.1056555E-14 Laplacian 0.5720145E+00 (-1/4)Del**2(Rho)) -0.1430036E+00 Diamond 0.1102381E+01 Metallicity 0.4731741E+01 Ellipticity 0.2935612E-01 Gb(Abramov) 0.2081118E+00 Vb(Abramov) -0.2732199E+00 Hb(Abramov) -0.6510815E-01 Ex_ueg -0.5542473E-01 Ec_ueg -0.8021102E-02 Delta_ex -0.6079938E-01 Delta_ec 0.1475836E-01 Delta_et -0.1953774E+00 Pxc 0.6909865E+01 Qxc -0.4119658E+01 3,-1 160 3 -1 0.577038 -2.782074 -1.810358 Rho 0.1428072E+00 |GRAD(Rho)| 0.2661550E-13 GRAD(Rho)x 0.2587608E-13 GRAD(Rho)y 0.6110279E-14 GRAD(Rho)z -0.1215635E-14 Laplacian 0.6028998E+00 (-1/4)Del**2(Rho)) -0.1507249E+00 Diamond 0.1154614E+01 Metallicity 0.4459484E+01 Ellipticity 0.8885492E-02 Gb(Abramov) 0.2125092E+00 Vb(Abramov) -0.2742935E+00 Hb(Abramov) -0.6178427E-01 Ex_ueg -0.5512962E-01 Ec_ueg -0.7984670E-02 Delta_ex -0.6400137E-01 Delta_ec 0.1553791E-01 Delta_et -0.2055058E+00 Pxc 0.6904433E+01 Qxc -0.4119046E+01 3,-1 161 3 -1 1.809320 -2.783008 -0.577489 Rho 0.1433932E+00 |GRAD(Rho)| 0.2324664E-15 GRAD(Rho)x -0.2322497E-15 GRAD(Rho)y 0.9662952E-17 GRAD(Rho)z -0.2710505E-17 Laplacian 0.6054204E+00 (-1/4)Del**2(Rho)) -0.1513551E+00 Diamond 0.1165004E+01 Metallicity 0.4471335E+01 Ellipticity 0.8933492E-02 Gb(Abramov) 0.2136966E+00 Vb(Abramov) -0.2760382E+00 Hb(Abramov) -0.6234153E-01 Ex_ueg -0.5543150E-01 Ec_ueg -0.8021937E-02 Delta_ex -0.6433158E-01 Delta_ec 0.1558430E-01 Delta_et -0.2062378E+00 Pxc 0.6909990E+01 Qxc -0.4127975E+01 3,-1 162 3 -1 1.975196 -2.973320 0.840096 Rho 0.1437994E+00 |GRAD(Rho)| 0.8014188E-15 GRAD(Rho)x 0.3199752E-15 GRAD(Rho)y -0.2209062E-16 GRAD(Rho)z -0.7344386E-15 Laplacian 0.5737278E+00 (-1/4)Del**2(Rho)) -0.1434319E+00 Diamond 0.1109562E+01 Metallicity 0.4740626E+01 Ellipticity 0.2974989E-01 Gb(Abramov) 0.2089475E+00 Vb(Abramov) -0.2744630E+00 Hb(Abramov) -0.6551555E-01 Ex_ueg -0.5564094E-01 Ec_ueg -0.8047774E-02 Delta_ex -0.6102490E-01 Delta_ec 0.1479189E-01 Delta_et -0.1959056E+00 Pxc 0.6913829E+01 Qxc -0.4125565E+01 3,-1 163 3 -1 1.975115 2.973181 -0.840087 Rho 0.1438490E+00 |GRAD(Rho)| 0.5127869E-13 GRAD(Rho)x 0.2919533E-13 GRAD(Rho)y -0.1825844E-13 GRAD(Rho)z 0.3799692E-13 Laplacian 0.5739525E+00 (-1/4)Del**2(Rho)) -0.1434881E+00 Diamond 0.1110468E+01 Metallicity 0.4741497E+01 Ellipticity 0.2978887E-01 Gb(Abramov) 0.2090502E+00 Vb(Abramov) -0.2746122E+00 Hb(Abramov) -0.6556205E-01 Ex_ueg -0.5566656E-01 Ec_ueg -0.8050934E-02 Delta_ex -0.6105407E-01 Delta_ec 0.1479663E-01 Delta_et -0.1959788E+00 Pxc 0.6914298E+01 Qxc -0.4126214E+01 3,-1 164 3 -1 -1.809380 -2.782925 0.577685 Rho 0.1433944E+00 |GRAD(Rho)| 0.3362501E-15 GRAD(Rho)x -0.2284550E-15 GRAD(Rho)y 0.8130839E-16 GRAD(Rho)z -0.2329408E-15 Laplacian 0.6054209E+00 (-1/4)Del**2(Rho)) -0.1513552E+00 Diamond 0.1165019E+01 Metallicity 0.4471391E+01 Ellipticity 0.8927803E-02 Gb(Abramov) 0.2136982E+00 Vb(Abramov) -0.2760412E+00 Hb(Abramov) -0.6234297E-01 Ex_ueg -0.5543208E-01 Ec_ueg -0.8022008E-02 Delta_ex -0.6433180E-01 Delta_ec 0.1558435E-01 Delta_et -0.2062390E+00 Pxc 0.6910000E+01 Qxc -0.4127974E+01 3,-1 165 3 -1 -2.972290 -1.976492 -0.839682 Rho 0.1433100E+00 |GRAD(Rho)| 0.5372934E-12 GRAD(Rho)x -0.2610839E-12 GRAD(Rho)y 0.3217980E-12 GRAD(Rho)z -0.3420021E-12 Laplacian 0.5717040E+00 (-1/4)Del**2(Rho)) -0.1429260E+00 Diamond 0.1101137E+01 Metallicity 0.4730453E+01 Ellipticity 0.2928441E-01 Gb(Abramov) 0.2079681E+00 Vb(Abramov) -0.2730103E+00 Hb(Abramov) -0.6504214E-01 Ex_ueg -0.5538860E-01 Ec_ueg -0.8016643E-02 Delta_ex -0.6075914E-01 Delta_ec 0.1475213E-01 Delta_et -0.1952808E+00 Pxc 0.6909202E+01 Qxc -0.4118668E+01 3,-1 166 3 -1 -2.783186 0.577548 -1.809160 Rho 0.1434008E+00 |GRAD(Rho)| 0.4476743E-15 GRAD(Rho)x 0.8322607E-16 GRAD(Rho)y -0.3251658E-15 GRAD(Rho)z -0.2962311E-15 Laplacian 0.6054353E+00 (-1/4)Del**2(Rho)) -0.1513588E+00 Diamond 0.1165094E+01 Metallicity 0.4471621E+01 Ellipticity 0.8964287E-02 Gb(Abramov) 0.2137091E+00 Vb(Abramov) -0.2760594E+00 Hb(Abramov) -0.6235027E-01 Ex_ueg -0.5543542E-01 Ec_ueg -0.8022421E-02 Delta_ex -0.6433386E-01 Delta_ec 0.1558423E-01 Delta_et -0.2062381E+00 Pxc 0.6910062E+01 Qxc -0.4128138E+01 3,-1 167 3 -1 -1.976230 0.839857 2.972257 Rho 0.1433008E+00 |GRAD(Rho)| 0.2032052E-12 GRAD(Rho)x -0.1152987E-12 GRAD(Rho)y -0.1515216E-12 GRAD(Rho)z -0.7099138E-13 Laplacian 0.5716703E+00 (-1/4)Del**2(Rho)) -0.1429176E+00 Diamond 0.1101008E+01 Metallicity 0.4730225E+01 Ellipticity 0.2926531E-01 Gb(Abramov) 0.2079504E+00 Vb(Abramov) -0.2729833E+00 Hb(Abramov) -0.6503285E-01 Ex_ueg -0.5538385E-01 Ec_ueg -0.8016056E-02 Delta_ex -0.6075483E-01 Delta_ec 0.1475190E-01 Delta_et -0.1952768E+00 Pxc 0.6909114E+01 Qxc -0.4118441E+01 3,-1 168 3 -1 -3.199326 0.059344 -3.197232 Rho 0.2545713E+00 |GRAD(Rho)| 0.5771811E-15 GRAD(Rho)x 0.3665688E-15 GRAD(Rho)y -0.9966528E-16 GRAD(Rho)z 0.4345482E-15 Laplacian 0.9142204E+00 (-1/4)Del**2(Rho)) -0.2285551E+00 Diamond 0.3466858E+01 Metallicity 0.7707460E+01 Ellipticity 0.8878164E-03 Gb(Abramov) 0.4459666E+00 Vb(Abramov) -0.6633781E+00 Hb(Abramov) -0.2174115E+00 Ex_ueg -0.1191601E+00 Ec_ueg -0.1545219E-01 Delta_ex -0.1121548E+00 Delta_ec 0.1980350E-01 Delta_et -0.2745540E+00 Pxc 0.7711534E+01 Qxc -0.5663384E+01 3,-1 169 3 -1 3.197354 -3.199486 -0.059360 Rho 0.2545742E+00 |GRAD(Rho)| 0.1442855E-15 GRAD(Rho)x -0.7730361E-16 GRAD(Rho)y 0.8370041E-16 GRAD(Rho)z 0.8852511E-16 Laplacian 0.9142052E+00 (-1/4)Del**2(Rho)) -0.2285513E+00 Diamond 0.3466878E+01 Metallicity 0.7707737E+01 Ellipticity 0.8888761E-03 Gb(Abramov) 0.4459698E+00 Vb(Abramov) -0.6633882E+00 Hb(Abramov) -0.2174185E+00 Ex_ueg -0.1191620E+00 Ec_ueg -0.1545240E-01 Delta_ex -0.1121534E+00 Delta_ec 0.1980335E-01 Delta_et -0.2745532E+00 Pxc 0.7711550E+01 Qxc -0.5663357E+01 3,-1 170 3 -1 -2.973225 -0.840202 -1.975187 Rho 0.1438419E+00 |GRAD(Rho)| 0.6075981E-13 GRAD(Rho)x 0.2156554E-13 GRAD(Rho)y 0.4502006E-13 GRAD(Rho)z -0.3463923E-13 Laplacian 0.5739182E+00 (-1/4)Del**2(Rho)) -0.1434796E+00 Diamond 0.1110302E+01 Metallicity 0.4741390E+01 Ellipticity 0.2982522E-01 Gb(Abramov) 0.2090351E+00 Vb(Abramov) -0.2745907E+00 Hb(Abramov) -0.6555557E-01 Ex_ueg -0.5566289E-01 Ec_ueg -0.8050482E-02 Delta_ex -0.6104932E-01 Delta_ec 0.1479528E-01 Delta_et -0.1959581E+00 Pxc 0.6914231E+01 Qxc -0.4126269E+01 3,-1 171 3 -1 -2.783113 -0.577473 1.809330 Rho 0.1433024E+00 |GRAD(Rho)| 0.1887808E-15 GRAD(Rho)x 0.5784896E-16 GRAD(Rho)y 0.1767927E-15 GRAD(Rho)z 0.3218725E-16 Laplacian 0.6049959E+00 (-1/4)Del**2(Rho)) -0.1512490E+00 Diamond 0.1163323E+01 Metallicity 0.4469750E+01 Ellipticity 0.8944549E-02 Gb(Abramov) 0.2135068E+00 Vb(Abramov) -0.2757647E+00 Hb(Abramov) -0.6225786E-01 Ex_ueg -0.5538469E-01 Ec_ueg -0.8016160E-02 Delta_ex -0.6427677E-01 Delta_ec 0.1557621E-01 Delta_et -0.2061125E+00 Pxc 0.6909130E+01 Qxc -0.4126599E+01 3,-1 172 3 -1 0.363706 -0.363686 0.363709 Rho 0.2027897E+00 |GRAD(Rho)| 0.2694974E-15 GRAD(Rho)x 0.4474557E-16 GRAD(Rho)y -0.2340733E-16 GRAD(Rho)z 0.2647239E-15 Laplacian 0.7286716E+00 (-1/4)Del**2(Rho)) -0.1821679E+00 Diamond 0.2359714E+01 Metallicity 0.6619492E+01 Ellipticity 0.1302227E-04 Gb(Abramov) 0.3224217E+00 Vb(Abramov) -0.4626756E+00 Hb(Abramov) -0.1402538E+00 Ex_ueg -0.8799264E-01 Ec_ueg -0.1190492E-01 Delta_ex -0.8598610E-01 Delta_ec 0.1992816E-01 Delta_et -0.2842452E+00 Pxc 0.7391282E+01 Qxc -0.4314803E+01 3,-1 173 3 -1 1.810416 -0.577398 -2.782052 Rho 0.1429694E+00 |GRAD(Rho)| 0.2889416E-15 GRAD(Rho)x 0.2277231E-15 GRAD(Rho)y 0.1768740E-15 GRAD(Rho)z 0.1857374E-16 Laplacian 0.6036129E+00 (-1/4)Del**2(Rho)) -0.1509032E+00 Diamond 0.1157525E+01 Metallicity 0.4462653E+01 Ellipticity 0.8861971E-02 Gb(Abramov) 0.2128403E+00 Vb(Abramov) -0.2747773E+00 Hb(Abramov) -0.6193704E-01 Ex_ueg -0.5521315E-01 Ec_ueg -0.7994984E-02 Delta_ex -0.6409449E-01 Delta_ec 0.1555136E-01 Delta_et -0.2057170E+00 Pxc 0.6905973E+01 Qxc -0.4121471E+01 3,-1 174 3 -1 1.809369 2.782921 0.577438 Rho 0.1433781E+00 |GRAD(Rho)| 0.4612903E-15 GRAD(Rho)x -0.1166737E-15 GRAD(Rho)y 0.2681367E-16 GRAD(Rho)z 0.4454851E-15 Laplacian 0.6053652E+00 (-1/4)Del**2(Rho)) -0.1513413E+00 Diamond 0.1164763E+01 Metallicity 0.4470957E+01 Ellipticity 0.8934602E-02 Gb(Abramov) 0.2136676E+00 Vb(Abramov) -0.2759939E+00 Hb(Abramov) -0.6232631E-01 Ex_ueg -0.5542371E-01 Ec_ueg -0.8020975E-02 Delta_ex -0.6432421E-01 Delta_ec 0.1558353E-01 Delta_et -0.2062250E+00 Pxc 0.6909847E+01 Qxc -0.4127705E+01 3,-1 175 3 -1 -1.810554 0.577209 -2.781954 Rho 0.1428720E+00 |GRAD(Rho)| 0.5169534E-13 GRAD(Rho)x 0.4411980E-13 GRAD(Rho)y 0.4223455E-14 GRAD(Rho)z 0.2660852E-13 Laplacian 0.6031880E+00 (-1/4)Del**2(Rho)) -0.1507970E+00 Diamond 0.1155795E+01 Metallicity 0.4460729E+01 Ellipticity 0.8841660E-02 Gb(Abramov) 0.2126421E+00 Vb(Abramov) -0.2744872E+00 Hb(Abramov) -0.6184511E-01 Ex_ueg -0.5516303E-01 Ec_ueg -0.7988795E-02 Delta_ex -0.6403906E-01 Delta_ec 0.1554359E-01 Delta_et -0.2055947E+00 Pxc 0.6905049E+01 Qxc -0.4119966E+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 88 87 79 154 159 83 85 155 160 80 75 82 131 123 121 127 129 125 124 128 130 119 122 126 142 134 161 135 162 169 157 108 174 109 163 110 113 60 137 63 116 111 149 114 164 165 115 151 54 166 175 170 65 168 140 171 70 59 167 158 99 143 133 146 144 148 132 145 173 104 156 147 172 139 141 153 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 2.466710 1.929528 1.930792 1.938126 1.939653 1.721755 2.466744 1.929614 1.930842 1.938093 1.939573 1.721756 2.466775 1.929349 1.930943 1.938106 1.939730 1.721758 2.466775 1.929411 1.930745 1.938220 1.939748 1.721746 2.466914 1.930718 1.929215 1.939795 1.938480 1.721761 2.466848 1.930782 1.929253 1.939750 1.938336 1.721760 2.466871 1.930837 1.929086 1.939867 1.938390 1.721758 2.466869 1.930567 1.929212 1.939858 1.938579 1.721753 2.466702 1.929195 1.930663 1.938365 1.939965 1.721765 2.466744 1.929468 1.930485 1.938332 1.939875 1.721756 2.466661 1.929236 1.930571 1.938456 1.939908 1.721752 2.466754 1.929327 1.930393 1.938460 1.940052 1.721759 1.556081 1.556057 1.556052 1.556048 2.467724 1.929952 1.931169 1.938760 1.940329 1.721758 2.467759 1.929992 1.931219 1.938728 1.940210 1.721759 2.467789 1.929727 1.931318 1.938741 1.940365 1.721761 2.467792 1.929787 1.931169 1.938853 1.940382 1.721750 2.467927 1.931093 1.929592 1.940431 1.939115 1.721763 2.467865 1.931157 1.929629 1.940385 1.938969 1.721764 2.467884 1.931262 1.929462 1.940503 1.939024 1.721762 2.467884 1.930991 1.929590 1.940495 1.939215 1.721756 2.467718 1.929574 1.931040 1.939001 1.940602 1.721766 2.467758 1.929846 1.930860 1.939009 1.940511 1.721760 2.467678 1.929662 1.930995 1.939090 1.940584 1.721758 2.467768 1.929703 1.930769 1.939095 1.940688 1.721761 1.556082 1.556059 1.556053 1.556049 29 25 23 23 26 22 29 23 23 23 23 23 29 23 23 23 23 22 29 23 26 23 23 24 29 23 23 23 23 20 29 23 23 23 23 22 29 26 23 23 23 22 29 25 23 23 23 23 29 23 23 23 23 21 29 23 23 26 23 22 29 27 27 23 26 24 29 23 23 23 23 20 19 23 22 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 53 W W W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O P 2.5255 2.5254 2.5254 2.5255 2.5254 2.5255 2.5254 2.5254 2.5255 2.5255 2.5255 2.5255 -1.0510 -1.0510 -1.0510 -1.0510 -0.9491 -0.9491 -0.9491 -0.9491 -0.9491 -0.9491 -0.9491 -0.9491 -0.9491 -0.9491 -0.9491 -0.9491 -0.9469 -0.9469 -0.9469 -0.9469 -0.9469 -0.9469 -0.9469 -0.9469 -0.9469 -0.9469 -0.9469 -0.9469 -0.7311 -0.7311 -0.7311 -0.7311 -0.7311 -0.7311 -0.7311 -0.7311 -0.7311 -0.7311 -0.7311 -0.7311 2.4239 2.0804 2.0804 2.0804 2.0804 2.0804 2.0804 2.0804 2.0804 2.0804 2.0804 2.0804 2.0804 1.8914 1.8914 1.8914 1.8914 1.9348 1.9348 1.9348 1.9348 1.9348 1.9348 1.9348 1.9348 1.9348 1.9348 1.9348 1.9348 1.9470 1.9470 1.9469 1.9469 1.9469 1.9470 1.9469 1.9469 1.9469 1.9469 1.9469 1.9469 1.9760 1.9760 1.9760 1.9760 1.9760 1.9760 1.9760 1.9760 1.9760 1.9760 1.9760 1.9760 2.4847 6.0816 6.0816 6.0816 6.0816 6.0817 6.0816 6.0817 6.0817 6.0816 6.0816 6.0816 6.0817 5.1184 5.1184 5.1184 5.1184 4.9838 4.9838 4.9838 4.9838 4.9838 4.9838 4.9838 4.9838 4.9838 4.9838 4.9838 4.9838 4.9667 4.9667 4.9667 4.9667 4.9667 4.9667 4.9667 4.9667 4.9667 4.9667 4.9667 4.9667 4.7163 4.7163 4.7163 4.7163 4.7163 4.7163 4.7163 4.7163 4.7163 4.7163 4.7163 4.7163 7.2557 3.2835 3.2835 3.2835 3.2835 3.2835 3.2835 3.2835 3.2835 3.2835 3.2835 3.2835 3.2835 0.0412 0.0412 0.0412 0.0412 0.0305 0.0305 0.0305 0.0305 0.0305 0.0305 0.0305 0.0305 0.0305 0.0305 0.0305 0.0305 0.0332 0.0332 0.0332 0.0332 0.0332 0.0332 0.0332 0.0332 0.0332 0.0332 0.0332 0.0332 0.0388 0.0388 0.0388 0.0388 0.0388 0.0388 0.0388 0.0388 0.0388 0.0388 0.0388 0.0388 0.8357 14.0290 14.0290 14.0290 14.0290 14.0290 14.0290 14.0290 14.0290 14.0290 14.0290 14.0290 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 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 W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O P 2.527978 2.527971 2.527970 2.527974 2.527946 2.527965 2.527956 2.527949 2.527963 2.527971 2.527971 2.527958 -1.035458 -1.035456 -1.035452 -1.035451 -0.935850 -0.935851 -0.935852 -0.935855 -0.935865 -0.935857 -0.935864 -0.935863 -0.935871 -0.935869 -0.935869 -0.935878 -0.911182 -0.911177 -0.911181 -0.911184 -0.911153 -0.911155 -0.911155 -0.911149 -0.911156 -0.911156 -0.911155 -0.911150 -0.753004 -0.753000 -0.753001 -0.752997 -0.753001 -0.753013 -0.753009 -0.752997 -0.752997 -0.753005 -0.752998 -0.752998 2.006559 1.950826 1.950819 1.950842 1.950835 1.950813 1.950826 1.950837 1.950810 1.950830 1.950820 1.950832 1.950815 -0.769064 -0.769071 -0.769068 -0.769067 -0.700597 -0.700642 -0.700653 -0.700646 -0.700526 -0.700563 -0.700585 -0.700536 -0.700651 -0.700632 -0.700608 -0.700642 -0.735826 -0.735829 -0.735815 -0.735843 -0.735827 -0.735841 -0.735822 -0.735825 -0.735765 -0.735787 -0.735779 -0.735777 -0.637424 -0.637424 -0.637406 -0.637412 -0.637416 -0.637427 -0.637415 -0.637415 -0.637408 -0.637431 -0.637417 -0.637420 1.552391 2.050189 2.050182 2.050200 2.050203 2.050191 2.050190 2.050202 2.050188 2.050192 2.050193 2.050199 2.050191 -0.823838 -0.823841 -0.823842 -0.823844 -0.775389 -0.775418 -0.775427 -0.775423 -0.775358 -0.775368 -0.775402 -0.775361 -0.775439 -0.775419 -0.775407 -0.775444 -0.771691 -0.771685 -0.771687 -0.771700 -0.771648 -0.771656 -0.771649 -0.771635 -0.771628 -0.771635 -0.771631 -0.771617 -0.604547 -0.604545 -0.604531 -0.604533 -0.604525 -0.604543 -0.604530 -0.604524 -0.604523 -0.604544 -0.604530 -0.604530 1.512163 -0.00006869 0.00006238 0.00043756 0.00044729 -0.00314838 -0.00128155 0.00118961 0.00145616 0.00124419 0.00169222 -424.2923 409.7836 -44.1134 -396.2102 -10.2876 -465.1199 Mar16-2024 00:55:02 Nodes: 1 Procs: 1 Mar16-2024 00:55:02 Nodes: 1 Procs: 1 0 Mar16-2024 00:55:03 Nodes: 1 Procs: 1 Mar16-2024 00:55:03 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar16-2024 00:55:04 Nodes: 1 Procs: 1 Mar16-2024 00:55:05 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar16-2024 00:55:07 Nodes: 1 Procs: 24 *** (NO TITLE) *** -3 -17.08696534 -17.08825657 -17.08934361 -17.08960731 -17.09015202 -17.09148329 -17.09207412 -17.09265502 -17.09274288 -17.09282790 -17.09284241 GEOMETRY CONVERGED