ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 09:17:29 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.35 0.05 2.22 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun12-2024 09:17:29 Nodes: 1 Procs: 1 Jun12-2024 09:17:31 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 09:17:33 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.45 0.05 1.80 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 Jun12-2024 09:17:29 Nodes: 1 Procs: 1 Jun12-2024 09:17:31 Nodes: 1 Procs: 1 0 Jun12-2024 09:17:33 Nodes: 1 Procs: 1 Jun12-2024 09:17:35 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 09:17:37 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.90 0.04 1.31 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 Jun12-2024 09:17:29 Nodes: 1 Procs: 1 Jun12-2024 09:17:31 Nodes: 1 Procs: 1 0 Jun12-2024 09:17:33 Nodes: 1 Procs: 1 Jun12-2024 09:17:35 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 09:17:37 Nodes: 1 Procs: 1 Jun12-2024 09:17:39 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 09:17:41 Arsenic (TZP, 3p frozen) c1-36 c1-36 c1-36 c1-36 c1-36 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.44 0.07 2.95 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 Jun12-2024 09:17:29 Nodes: 1 Procs: 1 Jun12-2024 09:17:31 Nodes: 1 Procs: 1 0 Jun12-2024 09:17:33 Nodes: 1 Procs: 1 Jun12-2024 09:17:35 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 09:17:37 Nodes: 1 Procs: 1 Jun12-2024 09:17:39 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 09:17:41 Nodes: 1 Procs: 1 Jun12-2024 09:17:42 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 09:17:47 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2017.938199999997 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.Mo ADF 2019.304 Jun12-2024 09:17:35 1 1 Molybdenum TZP 3d t21.As ADF 2019.304 Jun12-2024 09:17:31 1 1 Arsenic TZP 3p t21.W ADF 2019.304 Jun12-2024 09:17:42 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun12-2024 09:17:39 1 1 Oxygen TZP 1s 1 1 -15.64682902 0.34103556 0.00100000 F 0.10152884 0.00066667 F 0.34103556 0.10152884 0.25584070 0.01000000 F 0.06160432 0.00666667 F Cartesian 2017.938199999997 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554.426162 593.822161 619.235568 624.741541 631.179935 653.041943 709.397311 730.007508 746.083073 759.219832 761.844307 772.086731 784.169985 788.999865 795.075320 796.603588 807.860065 811.333515 845.097161 855.650078 856.094808 862.924668 888.073282 888.238855 890.194195 896.923120 897.677302 900.871139 901.970406 908.796608 910.627152 914.215414 918.054898 418.392298 26.282053 34.431529 69.284539 16.681278 120.372560 1226.848030 233.270178 0.357262 31.258531 122.975097 0.057457 447.541633 53.531636 9.855174 129.961705 13.427382 23.454815 64.444179 327.762620 1.576850 29.718625 156.745878 44.115417 586.907795 3.913097 13.889004 17.656596 76.773810 0.741146 212.891347 96.510464 548.216255 11.316922 143.336710 159.677937 74.397321 119.131903 0.870147 187.196509 5.504191 6.193512 73.419113 503.925708 2.239171 651.039237 608.517772 12.695844 0.562181 151.209389 850.200213 186.247810 33.850698 1744.165004 46.495784 2013.910419 3581.960387 574.130191 555.026573 2050.074523 716.049387 41.233020 287.274693 121.074734 2.368578 1804.237796 4749.529269 1522.862540 3647.326236 683.114845 166.424856 4284.507171 365.616164 2738.963255 4541.217495 1177.671785 2665.351235 5862.771088 3583.051501 2591.768847 1264.244773 474.791689 4542.868481 533.150913 34.124863 1781.629250 2613.336223 81.537908 489.206371 115.628046 2193.777080 111.407444 490.869194 291.510136 1755.745082 4360.075192 223.817052 1360.317506 1213.960030 406.954857 435.617762 1381.513859 92.141455 0.346036 3452.872358 1370.288790 910.122063 194.512742 2030.719878 248.724272 1737.834175 468.480087 9.818478 102.771337 3750.170289 3875.328252 379.718624 818.648771 41026.146131 38998.403094 3589.359756 20734.292852 8582.800302 213.878919 169.054604 11214.439950 1429.496955 16592.054437 1813.370687 6487.843408 120.287808 1233.949846 896.307470 5253.610652 298.227069 718.596877 3616.125965 2766.910476 416.934429 714.245875 2393.527260 813.903772 424.273637 17.310516 483.203461 106.044096 81.622305 -6.478132 0.270388 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1.718957 -1.487437 3.501810 -1.339850 1.570169 -1.294078 3.517080 1.491407 1.389396 -3.470690 -0.210196 -0.003106 5.275338 3.930107 -2.649990 -2.528993 -0.210196 -0.003106 -5.275338 0.245472 5.324153 0.000000 3.930107 -2.649990 2.528993 3.742327 2.908910 -2.539392 -3.747297 2.522550 -2.821631 -3.917203 -2.242373 2.817745 -3.917203 -2.242373 -2.817745 -3.747297 2.522550 2.821631 3.742327 2.908910 2.539392 1 3 -3 0.109097 -0.011787 3.563854 Rho 0.1240649E+06 3,-3 2 3 -3 0.109097 -0.011787 -3.563854 Rho 0.1240649E+06 3,-3 3 3 -3 2.525082 -1.847481 1.850289 Rho 0.1240649E+06 3,-3 4 3 -3 2.611735 1.745071 -1.901993 Rho 0.1240650E+06 3,-3 5 3 -3 -2.562752 -2.060815 1.719115 Rho 0.1240648E+06 3,-3 6 3 -3 -2.562752 -2.060815 -1.719115 Rho 0.1240648E+06 3,-3 7 3 -3 2.611735 1.745071 1.901993 Rho 0.1240650E+06 3,-3 8 3 -3 2.525082 -1.847481 -1.850289 Rho 0.1240649E+06 3,-3 9 3 -3 -0.071259 -0.136801 0.000000 Rho 0.4276089E+05 3,-3 10 3 -3 -0.089752 3.603536 0.000000 Rho 0.4361415E+07 3,-3 11 3 -3 -2.560706 1.853215 -1.715457 Rho 0.4361414E+07 3,-3 12 3 -3 -2.560706 1.853215 1.715457 Rho 0.4361414E+07 3,-3 13 3 -3 0.963909 -0.101419 1.366729 Rho 0.3190423E+03 3,-3 14 3 -3 -1.072984 -1.503166 0.000000 Rho 0.3190872E+03 3,-3 15 3 -3 0.963909 -0.101419 -1.366729 Rho 0.3190424E+03 3,-3 16 3 -3 -0.970299 1.341603 0.000000 Rho 0.3190052E+03 3,-3 17 3 -3 -3.005622 0.086550 1.593306 Rho 0.3190339E+03 3,-3 18 3 -3 3.063220 -1.553062 0.000000 Rho 0.3189590E+03 3,-3 19 3 -3 -3.005622 0.086550 -1.593306 Rho 0.3190339E+03 3,-3 20 3 -3 3.052532 1.738782 0.000000 Rho 0.3189758E+03 3,-3 21 3 -3 1.417412 -3.147338 -1.502040 Rho 0.3194622E+03 3,-3 22 3 -3 1.134687 2.948753 1.309566 Rho 0.3189379E+03 3,-3 23 3 -3 -1.153099 -1.300071 -2.916715 Rho 0.3189790E+03 3,-3 24 3 -3 -1.133046 1.353487 2.937086 Rho 0.3189319E+03 3,-3 25 3 -3 -1.133046 1.353487 -2.937086 Rho 0.3189319E+03 3,-3 26 3 -3 -1.153099 -1.300071 2.916715 Rho 0.3189790E+03 3,-3 27 3 -3 1.134687 2.948753 -1.309566 Rho 0.3189379E+03 3,-3 28 3 -3 1.417412 -3.147338 1.502040 Rho 0.3194622E+03 3,-3 29 3 -3 3.465898 0.139838 2.157833 Rho 0.3191690E+03 3,-3 30 3 -3 -3.502035 -2.182662 0.000000 Rho 0.3190177E+03 3,-3 31 3 -3 3.465898 0.139838 -2.157833 Rho 0.3191690E+03 3,-3 32 3 -3 -3.424309 2.248511 0.000000 Rho 0.3189228E+03 3,-3 33 3 -3 1.491407 1.389396 3.470690 Rho 0.3190528E+03 3,-3 34 3 -3 1.570169 -1.294078 -3.517080 Rho 0.3190532E+03 3,-3 35 3 -3 -1.487437 3.501810 1.339850 Rho 0.3189387E+03 3,-3 36 3 -3 -1.870164 -3.669168 -1.718957 Rho 0.3193962E+03 3,-3 37 3 -3 -1.870164 -3.669168 1.718957 Rho 0.3193962E+03 3,-3 38 3 -3 -1.487437 3.501810 -1.339850 Rho 0.3189387E+03 3,-3 39 3 -3 1.570169 -1.294078 3.517080 Rho 0.3190532E+03 3,-3 40 3 -3 1.491407 1.389396 -3.470690 Rho 0.3190528E+03 3,-3 41 3 -3 -0.210196 -0.003106 5.275338 Rho 0.3194052E+03 3,-3 42 3 -3 3.930107 -2.649990 -2.528993 Rho 0.3193482E+03 3,-3 43 3 -3 -0.210196 -0.003106 -5.275338 Rho 0.3194052E+03 3,-3 44 3 -3 0.245472 5.324153 0.000000 Rho 0.3192431E+03 3,-3 45 3 -3 3.930107 -2.649990 2.528993 Rho 0.3193482E+03 3,-3 46 3 -3 3.742327 2.908910 -2.539392 Rho 0.3193807E+03 3,-3 47 3 -3 -3.747297 2.522550 -2.821631 Rho 0.3192408E+03 3,-3 48 3 -3 -3.917203 -2.242373 2.817745 Rho 0.3193569E+03 3,-3 49 3 -3 -3.917203 -2.242373 -2.817745 Rho 0.3193569E+03 3,-3 50 3 -3 -3.747297 2.522550 2.821631 Rho 0.3192408E+03 3,-3 51 3 -3 3.742327 2.908910 2.539392 Rho 0.3193807E+03 3,-3 52 3 -1 -2.779621 -0.935250 1.649086 Rho 0.7057881E-01 |GRAD(Rho)| 0.3940756E-13 GRAD(Rho)x 0.2944242E-13 GRAD(Rho)y -0.1499341E-13 GRAD(Rho)z 0.2147783E-13 Laplacian 0.2999909E+00 (-1/4)Del**2(Rho)) -0.7499772E-01 Diamond 0.2449672E+00 Metallicity 0.2768826E+01 Ellipticity 0.5113170E-02 Gb(Abramov) 0.8460776E-01 Vb(Abramov) -0.9421779E-01 Hb(Abramov) -0.9610033E-02 Ex_ueg -0.2154191E-01 Ec_ueg -0.3580562E-02 Delta_ex -0.2701500E-01 Delta_ec 0.9011096E-02 Delta_et -0.1037556E+00 Pxc 0.6016349E+01 Qxc -0.2997970E+01 3,-1 53 3 +1 -1.691440 -0.072693 -0.749181 Rho 0.9304732E-02 |GRAD(Rho)| 0.3524287E-15 GRAD(Rho)x 0.2131844E-15 GRAD(Rho)y 0.2125345E-15 GRAD(Rho)z 0.1832688E-15 Laplacian 0.3538935E-01 (-1/4)Del**2(Rho)) -0.8847337E-02 Diamond 0.1113259E-02 Metallicity 0.8015188E+00 Ellipticity -0.1589503E+01 Gb(Abramov) 0.7080109E-02 Vb(Abramov) -0.5312881E-02 Hb(Abramov) 0.1767228E-02 Ex_ueg -0.1445407E-02 Ec_ueg -0.3366210E-03 Delta_ex -0.1673258E-02 Delta_ec 0.5405840E-03 Delta_et -0.3736531E-02 Pxc 0.4293871E+01 Qxc -0.3095278E+01 3,+1 54 3 +1 -1.691440 -0.072693 0.749181 Rho 0.9304732E-02 |GRAD(Rho)| 0.3506767E-15 GRAD(Rho)x 0.2118303E-15 GRAD(Rho)y 0.2113420E-15 GRAD(Rho)z -0.1828568E-15 Laplacian 0.3538935E-01 (-1/4)Del**2(Rho)) -0.8847337E-02 Diamond 0.1113259E-02 Metallicity 0.8015188E+00 Ellipticity -0.1589503E+01 Gb(Abramov) 0.7080109E-02 Vb(Abramov) -0.5312881E-02 Hb(Abramov) 0.1767228E-02 Ex_ueg -0.1445407E-02 Ec_ueg -0.3366210E-03 Delta_ex -0.1673258E-02 Delta_ec 0.5405840E-03 Delta_et -0.3736531E-02 Pxc 0.4293871E+01 Qxc -0.3095278E+01 3,+1 55 3 +1 -0.250012 -2.625433 -1.870797 Rho 0.2710382E-02 |GRAD(Rho)| 0.4473699E-17 GRAD(Rho)x 0.4202970E-17 GRAD(Rho)y -0.1173023E-17 GRAD(Rho)z 0.9864278E-18 Laplacian 0.1078011E-01 (-1/4)Del**2(Rho)) -0.2695026E-02 Diamond 0.9334633E-04 Metallicity 0.3368018E+00 Ellipticity -0.1387820E+01 Gb(Abramov) 0.1947966E-02 Vb(Abramov) -0.1200905E-02 Hb(Abramov) 0.7470605E-03 Ex_ueg -0.2790995E-03 Ec_ueg -0.4975233E-04 Delta_ex -0.4427906E-03 Delta_ec 0.2749990E-03 Delta_et -0.1267873E-02 Pxc 0.5609778E+01 Qxc -0.1610153E+01 3,+1 56 3 +1 -0.250012 -2.625433 1.870797 Rho 0.2710382E-02 |GRAD(Rho)| 0.5578822E-17 GRAD(Rho)x 0.5529728E-17 GRAD(Rho)y -0.6797080E-18 GRAD(Rho)z 0.2887232E-18 Laplacian 0.1078011E-01 (-1/4)Del**2(Rho)) -0.2695026E-02 Diamond 0.9334633E-04 Metallicity 0.3368018E+00 Ellipticity -0.1387820E+01 Gb(Abramov) 0.1947966E-02 Vb(Abramov) -0.1200905E-02 Hb(Abramov) 0.7470605E-03 Ex_ueg -0.2790995E-03 Ec_ueg -0.4975233E-04 Delta_ex -0.4427906E-03 Delta_ec 0.2749990E-03 Delta_et -0.1267873E-02 Pxc 0.5609778E+01 Qxc -0.1610153E+01 3,+1 57 3 +1 -2.982880 -0.425933 0.000000 Rho 0.5364171E-02 |GRAD(Rho)| 0.6738327E-14 GRAD(Rho)x -0.3536770E-14 GRAD(Rho)y -0.5735524E-14 GRAD(Rho)z 0.8739028E-17 Laplacian 0.2192955E-01 (-1/4)Del**2(Rho)) -0.5482387E-02 Diamond 0.3659165E-03 Metallicity 0.5165207E+00 Ellipticity -0.1343401E+01 Gb(Abramov) 0.4126886E-02 Vb(Abramov) -0.2771385E-02 Hb(Abramov) 0.1355501E-02 Ex_ueg -0.6935139E-03 Ec_ueg -0.1626181E-03 Delta_ex -0.9394161E-03 Delta_ec 0.3944019E-03 Delta_et -0.2306330E-02 Pxc 0.4264680E+01 Qxc -0.2381875E+01 3,+1 58 3 -1 -1.784592 -1.738386 -0.845184 Rho 0.5029807E-01 |GRAD(Rho)| 0.7057817E-16 GRAD(Rho)x -0.6456212E-16 GRAD(Rho)y 0.4731103E-17 GRAD(Rho)z 0.2811811E-16 Laplacian 0.2048326E+00 (-1/4)Del**2(Rho)) -0.5120815E-01 Diamond 0.1084254E+00 Metallicity 0.2305683E+01 Ellipticity 0.1713805E-01 Gb(Abramov) 0.5381706E-01 Vb(Abramov) -0.5642597E-01 Hb(Abramov) -0.2608910E-02 Ex_ueg -0.1371261E-01 Ec_ueg -0.2431357E-02 Delta_ex -0.1704579E-01 Delta_ec 0.6389044E-02 Delta_et -0.6755865E-01 Pxc 0.5639901E+01 Qxc -0.2667972E+01 3,-1 59 3 +1 -0.602506 -0.858832 -1.521185 Rho 0.9475219E-02 |GRAD(Rho)| 0.2919729E-14 GRAD(Rho)x -0.6897838E-15 GRAD(Rho)y 0.7122861E-15 GRAD(Rho)z -0.2746210E-14 Laplacian 0.3640924E-01 (-1/4)Del**2(Rho)) -0.9102310E-02 Diamond 0.1164451E-02 Metallicity 0.8030027E+00 Ellipticity -0.1571203E+01 Gb(Abramov) 0.7286403E-02 Vb(Abramov) -0.5470496E-02 Hb(Abramov) 0.1815907E-02 Ex_ueg -0.1480826E-02 Ec_ueg -0.3443080E-03 Delta_ex -0.1725563E-02 Delta_ec 0.5493849E-03 Delta_et -0.3820318E-02 Pxc 0.4300877E+01 Qxc -0.3140900E+01 3,+1 60 3 +1 -0.602506 -0.858832 1.521185 Rho 0.9475219E-02 |GRAD(Rho)| 0.2905524E-14 GRAD(Rho)x -0.6898079E-15 GRAD(Rho)y 0.7096986E-15 GRAD(Rho)z 0.2731769E-14 Laplacian 0.3640924E-01 (-1/4)Del**2(Rho)) -0.9102310E-02 Diamond 0.1164451E-02 Metallicity 0.8030027E+00 Ellipticity -0.1571203E+01 Gb(Abramov) 0.7286403E-02 Vb(Abramov) -0.5470496E-02 Hb(Abramov) 0.1815907E-02 Ex_ueg -0.1480826E-02 Ec_ueg -0.3443080E-03 Delta_ex -0.1725563E-02 Delta_ec 0.5493849E-03 Delta_et -0.3820318E-02 Pxc 0.4300877E+01 Qxc -0.3140900E+01 3,+1 61 3 -1 -1.784592 -1.738386 0.845184 Rho 0.5029807E-01 |GRAD(Rho)| 0.1007218E-15 GRAD(Rho)x -0.8514672E-16 GRAD(Rho)y -0.1280862E-16 GRAD(Rho)z 0.5225770E-16 Laplacian 0.2048326E+00 (-1/4)Del**2(Rho)) -0.5120815E-01 Diamond 0.1084254E+00 Metallicity 0.2305683E+01 Ellipticity 0.1713805E-01 Gb(Abramov) 0.5381706E-01 Vb(Abramov) -0.5642597E-01 Hb(Abramov) -0.2608910E-02 Ex_ueg -0.1371261E-01 Ec_ueg -0.2431357E-02 Delta_ex -0.1704579E-01 Delta_ec 0.6389044E-02 Delta_et -0.6755865E-01 Pxc 0.5639901E+01 Qxc -0.2667972E+01 3,-1 62 3 -1 -3.286434 -2.156216 -2.304726 Rho 0.2180903E+00 |GRAD(Rho)| 0.1294732E-14 GRAD(Rho)x -0.9808235E-15 GRAD(Rho)y -0.9637202E-16 GRAD(Rho)z -0.8396604E-15 Laplacian 0.8078153E+00 (-1/4)Del**2(Rho)) -0.2019538E+00 Diamond 0.2548182E+01 Metallicity 0.6740546E+01 Ellipticity 0.1950991E-01 Gb(Abramov) 0.3615157E+00 Vb(Abramov) -0.5210776E+00 Hb(Abramov) -0.1595619E+00 Ex_ueg -0.9695427E-01 Ec_ueg -0.1293772E-01 Delta_ex -0.9521561E-01 Delta_ec 0.1836928E-01 Delta_et -0.2533994E+00 Pxc 0.7493919E+01 Qxc -0.5183416E+01 3,-1 63 3 -1 -3.038572 -2.117062 -0.804177 Rho 0.1291526E+00 |GRAD(Rho)| 0.3553379E-14 GRAD(Rho)x -0.2879709E-15 GRAD(Rho)y -0.3151643E-14 GRAD(Rho)z 0.1615773E-14 Laplacian 0.4835974E+00 (-1/4)Del**2(Rho)) -0.1208994E+00 Diamond 0.8244166E+00 Metallicity 0.4702200E+01 Ellipticity 0.4978198E-01 Gb(Abramov) 0.1753484E+00 Vb(Abramov) -0.2297974E+00 Hb(Abramov) -0.5444904E-01 Ex_ueg -0.4821578E-01 Ec_ueg -0.7122658E-02 Delta_ex -0.5014537E-01 Delta_ec 0.1284762E-01 Delta_et -0.1674208E+00 Pxc 0.6769353E+01 Qxc -0.3903085E+01 3,-1 64 3 -1 -3.038572 -2.117062 0.804177 Rho 0.1291526E+00 |GRAD(Rho)| 0.7552365E-13 GRAD(Rho)x 0.3015529E-13 GRAD(Rho)y -0.4746162E-14 GRAD(Rho)z 0.6907933E-13 Laplacian 0.4835974E+00 (-1/4)Del**2(Rho)) -0.1208994E+00 Diamond 0.8244166E+00 Metallicity 0.4702200E+01 Ellipticity 0.4978198E-01 Gb(Abramov) 0.1753484E+00 Vb(Abramov) -0.2297974E+00 Hb(Abramov) -0.5444904E-01 Ex_ueg -0.4821578E-01 Ec_ueg -0.7122658E-02 Delta_ex -0.5014537E-01 Delta_ec 0.1284762E-01 Delta_et -0.1674208E+00 Pxc 0.6769353E+01 Qxc -0.3903085E+01 3,-1 65 3 -1 -3.286434 -2.156216 2.304726 Rho 0.2180903E+00 |GRAD(Rho)| 0.2328990E-12 GRAD(Rho)x 0.1791323E-12 GRAD(Rho)y 0.2170256E-13 GRAD(Rho)z -0.1472499E-12 Laplacian 0.8078153E+00 (-1/4)Del**2(Rho)) -0.2019538E+00 Diamond 0.2548182E+01 Metallicity 0.6740546E+01 Ellipticity 0.1950991E-01 Gb(Abramov) 0.3615157E+00 Vb(Abramov) -0.5210776E+00 Hb(Abramov) -0.1595619E+00 Ex_ueg -0.9695427E-01 Ec_ueg -0.1293772E-01 Delta_ex -0.9521561E-01 Delta_ec 0.1836928E-01 Delta_et -0.2533994E+00 Pxc 0.7493919E+01 Qxc -0.5183416E+01 3,-1 66 3 +3 -1.137494 -0.006734 -1.588686 Rho 0.5315731E-02 |GRAD(Rho)| 0.3286206E-13 GRAD(Rho)x -0.1034852E-13 GRAD(Rho)y 0.1155631E-13 GRAD(Rho)z -0.2897024E-13 Laplacian 0.2064229E-01 (-1/4)Del**2(Rho)) -0.5160572E-02 Diamond 0.1552740E-03 Metallicity 0.5404975E+00 Ellipticity -0.3437531E+00 Gb(Abramov) 0.3905261E-02 Vb(Abramov) -0.2649949E-02 Hb(Abramov) 0.1255311E-02 Ex_ueg -0.6851764E-03 Ec_ueg -0.1605252E-03 Delta_ex -0.7241464E-03 Delta_ec 0.8864004E-04 Delta_et -0.7156395E-03 Pxc 0.4268342E+01 Qxc -0.8169518E+01 3,+3 67 3 +1 -1.745789 0.011578 -2.451670 Rho 0.1146921E-01 |GRAD(Rho)| 0.3232777E-16 GRAD(Rho)x -0.1505087E-16 GRAD(Rho)y 0.2411494E-16 GRAD(Rho)z 0.1539566E-16 Laplacian 0.5611671E-01 (-1/4)Del**2(Rho)) -0.1402918E-01 Diamond 0.2140951E-02 Metallicity 0.7162699E+00 Ellipticity -0.1283755E+01 Gb(Abramov) 0.1102757E-01 Vb(Abramov) -0.8025952E-02 Hb(Abramov) 0.3001613E-02 Ex_ueg -0.1910277E-02 Ec_ueg -0.4351216E-03 Delta_ex -0.2734183E-02 Delta_ec 0.7435040E-03 Delta_et -0.5501677E-02 Pxc 0.4390214E+01 Qxc -0.3677428E+01 3,+1 68 3 +1 -1.745789 0.011578 2.451670 Rho 0.1146921E-01 |GRAD(Rho)| 0.1304318E-16 GRAD(Rho)x -0.9362323E-17 GRAD(Rho)y -0.7744530E-17 GRAD(Rho)z -0.4742756E-17 Laplacian 0.5611671E-01 (-1/4)Del**2(Rho)) -0.1402918E-01 Diamond 0.2140951E-02 Metallicity 0.7162699E+00 Ellipticity -0.1283755E+01 Gb(Abramov) 0.1102757E-01 Vb(Abramov) -0.8025952E-02 Hb(Abramov) 0.3001613E-02 Ex_ueg -0.1910277E-02 Ec_ueg -0.4351216E-03 Delta_ex -0.2734183E-02 Delta_ec 0.7435040E-03 Delta_et -0.5501677E-02 Pxc 0.4390214E+01 Qxc -0.3677428E+01 3,+1 69 3 +3 -1.137494 -0.006734 1.588686 Rho 0.5315731E-02 |GRAD(Rho)| 0.3286425E-13 GRAD(Rho)x -0.1034678E-13 GRAD(Rho)y 0.1154782E-13 GRAD(Rho)z 0.2897673E-13 Laplacian 0.2064229E-01 (-1/4)Del**2(Rho)) -0.5160572E-02 Diamond 0.1552740E-03 Metallicity 0.5404975E+00 Ellipticity -0.3437531E+00 Gb(Abramov) 0.3905261E-02 Vb(Abramov) -0.2649949E-02 Hb(Abramov) 0.1255311E-02 Ex_ueg -0.6851764E-03 Ec_ueg -0.1605252E-03 Delta_ex -0.7241464E-03 Delta_ec 0.8864004E-04 Delta_et -0.7156395E-03 Pxc 0.4268342E+01 Qxc -0.8169518E+01 3,+3 70 3 -1 -0.220988 -3.368416 -1.600371 Rho 0.3706957E-02 |GRAD(Rho)| 0.9213912E-17 GRAD(Rho)x -0.9110735E-17 GRAD(Rho)y 0.1080590E-17 GRAD(Rho)z -0.8503064E-18 Laplacian 0.1413071E-01 (-1/4)Del**2(Rho)) -0.3532677E-02 Diamond 0.3600656E-03 Metallicity 0.4329907E+00 Ellipticity 0.1590878E+00 Gb(Abramov) 0.2610054E-02 Vb(Abramov) -0.1687431E-02 Hb(Abramov) 0.9226230E-03 Ex_ueg -0.4237163E-03 Ec_ueg -0.9169947E-04 Delta_ex -0.8571973E-03 Delta_ec 0.7898484E-03 Delta_et -0.3777238E-02 Pxc 0.4620706E+01 Qxc -0.1085268E+01 3,-1 71 3 -1 -0.220988 -3.368416 1.600371 Rho 0.3706957E-02 |GRAD(Rho)| 0.4308462E-17 GRAD(Rho)x 0.2472346E-17 GRAD(Rho)y 0.3492019E-17 GRAD(Rho)z -0.5061181E-18 Laplacian 0.1413071E-01 (-1/4)Del**2(Rho)) -0.3532677E-02 Diamond 0.3600656E-03 Metallicity 0.4329907E+00 Ellipticity 0.1590878E+00 Gb(Abramov) 0.2610054E-02 Vb(Abramov) -0.1687431E-02 Hb(Abramov) 0.9226230E-03 Ex_ueg -0.4237163E-03 Ec_ueg -0.9169947E-04 Delta_ex -0.8571973E-03 Delta_ec 0.7898484E-03 Delta_et -0.3777238E-02 Pxc 0.4620706E+01 Qxc -0.1085268E+01 3,-1 72 3 -1 -2.785528 0.901720 -1.646892 Rho 0.1899645E+00 |GRAD(Rho)| 0.1016608E-12 GRAD(Rho)x -0.7833044E-13 GRAD(Rho)y -0.1959560E-13 GRAD(Rho)z 0.6176785E-13 Laplacian 0.7739420E+00 (-1/4)Del**2(Rho)) -0.1934855E+00 Diamond 0.2052033E+01 Metallicity 0.5589318E+01 Ellipticity 0.1896918E-01 Gb(Abramov) 0.3092323E+00 Vb(Abramov) -0.4249792E+00 Hb(Abramov) -0.1157468E+00 Ex_ueg -0.8065197E-01 Ec_ueg -0.1104926E-01 Delta_ex -0.8793796E-01 Delta_ec 0.1807638E-01 Delta_et -0.2461105E+00 Pxc 0.7299309E+01 Qxc -0.4864798E+01 3,-1 73 3 -1 -2.785528 0.901720 1.646892 Rho 0.1899645E+00 |GRAD(Rho)| 0.7486225E-14 GRAD(Rho)x 0.2438886E-14 GRAD(Rho)y 0.7072197E-14 GRAD(Rho)z 0.2818417E-15 Laplacian 0.7739420E+00 (-1/4)Del**2(Rho)) -0.1934855E+00 Diamond 0.2052033E+01 Metallicity 0.5589318E+01 Ellipticity 0.1896918E-01 Gb(Abramov) 0.3092323E+00 Vb(Abramov) -0.4249792E+00 Hb(Abramov) -0.1157468E+00 Ex_ueg -0.8065197E-01 Ec_ueg -0.1104926E-01 Delta_ex -0.8793796E-01 Delta_ec 0.1807638E-01 Delta_et -0.2461105E+00 Pxc 0.7299309E+01 Qxc -0.4864798E+01 3,-1 74 3 +1 -2.262642 -1.831272 -0.000000 Rho 0.2938994E-01 |GRAD(Rho)| 0.9411022E-16 GRAD(Rho)x -0.5603790E-16 GRAD(Rho)y 0.7543253E-16 GRAD(Rho)z -0.5140170E-17 Laplacian 0.1236010E+00 (-1/4)Del**2(Rho)) -0.3090025E-01 Diamond 0.2305090E-01 Metallicity 0.1560471E+01 Ellipticity -0.2512329E+02 Gb(Abramov) 0.2863666E-01 Vb(Abramov) -0.2637306E-01 Hb(Abramov) 0.2263595E-02 Ex_ueg -0.6698588E-02 Ec_ueg -0.1312182E-02 Delta_ex -0.8278006E-02 Delta_ec 0.2542800E-02 Delta_et -0.2329138E-01 Pxc 0.5104921E+01 Qxc -0.3255468E+01 3,+1 75 3 +1 -0.294483 -2.732214 1.227026 Rho 0.2766205E-02 |GRAD(Rho)| 0.1467958E-15 GRAD(Rho)x -0.1310096E-15 GRAD(Rho)y -0.6001548E-16 GRAD(Rho)z -0.2799323E-16 Laplacian 0.1106354E-01 (-1/4)Del**2(Rho)) -0.2765885E-02 Diamond 0.9001378E-04 Metallicity 0.3395155E+00 Ellipticity -0.1315943E+01 Gb(Abramov) 0.2000434E-02 Vb(Abramov) -0.1234982E-02 Hb(Abramov) 0.7654516E-03 Ex_ueg -0.2867901E-03 Ec_ueg -0.5208761E-04 Delta_ex -0.4389305E-03 Delta_ec 0.2514123E-03 Delta_et -0.1181975E-02 Pxc 0.5505919E+01 Qxc -0.1745859E+01 3,+1 76 3 -1 -1.819077 -1.648005 -2.335251 Rho 0.1137267E+00 |GRAD(Rho)| 0.2728122E-13 GRAD(Rho)x -0.1985504E-13 GRAD(Rho)y -0.1270835E-13 GRAD(Rho)z 0.1373100E-13 Laplacian 0.4631852E+00 (-1/4)Del**2(Rho)) -0.1157963E+00 Diamond 0.6721542E+00 Metallicity 0.3971573E+01 Ellipticity 0.1487339E-01 Gb(Abramov) 0.1538464E+00 Vb(Abramov) -0.1918966E+00 Hb(Abramov) -0.3805015E-01 Ex_ueg -0.4069443E-01 Ec_ueg -0.6163818E-02 Delta_ex -0.4651589E-01 Delta_ec 0.1253472E-01 Delta_et -0.1595455E+00 Pxc 0.6602146E+01 Qxc -0.3710964E+01 3,-1 77 3 -1 -1.819077 -1.648005 2.335251 Rho 0.1137267E+00 |GRAD(Rho)| 0.2738703E-13 GRAD(Rho)x -0.1991084E-13 GRAD(Rho)y -0.1280213E-13 GRAD(Rho)z -0.1377364E-13 Laplacian 0.4631852E+00 (-1/4)Del**2(Rho)) -0.1157963E+00 Diamond 0.6721542E+00 Metallicity 0.3971573E+01 Ellipticity 0.1487339E-01 Gb(Abramov) 0.1538464E+00 Vb(Abramov) -0.1918966E+00 Hb(Abramov) -0.3805015E-01 Ex_ueg -0.4069443E-01 Ec_ueg -0.6163818E-02 Delta_ex -0.4651589E-01 Delta_ec 0.1253472E-01 Delta_et -0.1595455E+00 Pxc 0.6602146E+01 Qxc -0.3710964E+01 3,-1 78 3 -1 -2.779621 -0.935250 -1.649086 Rho 0.7057881E-01 |GRAD(Rho)| 0.7432026E-14 GRAD(Rho)x 0.2707617E-14 GRAD(Rho)y 0.6472773E-14 GRAD(Rho)z 0.2450924E-14 Laplacian 0.2999909E+00 (-1/4)Del**2(Rho)) -0.7499772E-01 Diamond 0.2449672E+00 Metallicity 0.2768826E+01 Ellipticity 0.5113170E-02 Gb(Abramov) 0.8460776E-01 Vb(Abramov) -0.9421779E-01 Hb(Abramov) -0.9610033E-02 Ex_ueg -0.2154191E-01 Ec_ueg -0.3580562E-02 Delta_ex -0.2701500E-01 Delta_ec 0.9011096E-02 Delta_et -0.1037556E+00 Pxc 0.6016349E+01 Qxc -0.2997970E+01 3,-1 79 3 -1 -1.797078 1.577633 -2.353970 Rho 0.1391178E+00 |GRAD(Rho)| 0.2333464E-12 GRAD(Rho)x -0.1712918E-12 GRAD(Rho)y 0.6388956E-13 GRAD(Rho)z 0.1450095E-12 Laplacian 0.5732522E+00 (-1/4)Del**2(Rho)) -0.1433131E+00 Diamond 0.1066081E+01 Metallicity 0.4489917E+01 Ellipticity 0.1193382E-01 Gb(Abramov) 0.2027860E+00 Vb(Abramov) -0.2622590E+00 Hb(Abramov) -0.5947295E-01 Ex_ueg -0.5323883E-01 Ec_ueg -0.7750575E-02 Delta_ex -0.6049186E-01 Delta_ec 0.1491213E-01 Delta_et -0.1965446E+00 Pxc 0.6869016E+01 Qxc -0.4056553E+01 3,-1 80 3 -1 -1.731797 1.567331 -0.839756 Rho 0.4735121E-01 |GRAD(Rho)| 0.1853249E-14 GRAD(Rho)x -0.1487489E-14 GRAD(Rho)y 0.7114945E-15 GRAD(Rho)z 0.8459805E-15 Laplacian 0.1879052E+00 (-1/4)Del**2(Rho)) -0.4697630E-01 Diamond 0.8750294E-01 Metallicity 0.2272791E+01 Ellipticity 0.2137746E-01 Gb(Abramov) 0.4911208E-01 Vb(Abramov) -0.5124787E-01 Hb(Abramov) -0.2135783E-02 Ex_ueg -0.1265202E-01 Ec_ueg -0.2268990E-02 Delta_ex -0.1521246E-01 Delta_ec 0.5521877E-02 Delta_et -0.5738298E-01 Pxc 0.5576057E+01 Qxc -0.2754944E+01 3,-1 81 3 +1 -2.180362 1.751868 -0.000000 Rho 0.2714268E-01 |GRAD(Rho)| 0.1338171E-14 GRAD(Rho)x 0.5109601E-15 GRAD(Rho)y -0.1236718E-14 GRAD(Rho)z -0.1226667E-16 Laplacian 0.1057935E+00 (-1/4)Del**2(Rho)) -0.2644838E-01 Diamond 0.1577346E-01 Metallicity 0.1596769E+01 Ellipticity -0.4843846E+01 Gb(Abramov) 0.2467091E-01 Vb(Abramov) -0.2289344E-01 Hb(Abramov) 0.1777468E-02 Ex_ueg -0.6024514E-02 Ec_ueg -0.1197188E-02 Delta_ex -0.6753328E-02 Delta_ec 0.1843512E-02 Delta_et -0.1659312E-01 Pxc 0.5032219E+01 Qxc -0.3663295E+01 3,+1 82 3 -1 -1.731797 1.567331 0.839756 Rho 0.4735121E-01 |GRAD(Rho)| 0.3905897E-14 GRAD(Rho)x -0.2705713E-14 GRAD(Rho)y 0.8900581E-15 GRAD(Rho)z 0.2672630E-14 Laplacian 0.1879052E+00 (-1/4)Del**2(Rho)) -0.4697630E-01 Diamond 0.8750294E-01 Metallicity 0.2272791E+01 Ellipticity 0.2137746E-01 Gb(Abramov) 0.4911208E-01 Vb(Abramov) -0.5124787E-01 Hb(Abramov) -0.2135783E-02 Ex_ueg -0.1265202E-01 Ec_ueg -0.2268990E-02 Delta_ex -0.1521246E-01 Delta_ec 0.5521877E-02 Delta_et -0.5738298E-01 Pxc 0.5576057E+01 Qxc -0.2754944E+01 3,-1 83 3 -1 -1.797078 1.577633 2.353970 Rho 0.1391178E+00 |GRAD(Rho)| 0.2328636E-12 GRAD(Rho)x -0.1709211E-12 GRAD(Rho)y 0.6380773E-13 GRAD(Rho)z -0.1447066E-12 Laplacian 0.5732522E+00 (-1/4)Del**2(Rho)) -0.1433131E+00 Diamond 0.1066081E+01 Metallicity 0.4489917E+01 Ellipticity 0.1193382E-01 Gb(Abramov) 0.2027860E+00 Vb(Abramov) -0.2622590E+00 Hb(Abramov) -0.5947295E-01 Ex_ueg -0.5323883E-01 Ec_ueg -0.7750575E-02 Delta_ex -0.6049186E-01 Delta_ec 0.1491213E-01 Delta_et -0.1965446E+00 Pxc 0.6869016E+01 Qxc -0.4056553E+01 3,-1 84 3 +1 0.543225 1.486576 -0.855881 Rho 0.7392049E-02 |GRAD(Rho)| 0.3822801E-17 GRAD(Rho)x 0.7575163E-18 GRAD(Rho)y 0.3711864E-17 GRAD(Rho)z 0.5119032E-18 Laplacian 0.2909725E-01 (-1/4)Del**2(Rho)) -0.7274311E-02 Diamond 0.6547371E-03 Metallicity 0.6643079E+00 Ellipticity -0.1411891E+01 Gb(Abramov) 0.5654938E-02 Vb(Abramov) -0.4035565E-02 Hb(Abramov) 0.1619373E-02 Ex_ueg -0.1063502E-02 Ec_ueg -0.2512616E-03 Delta_ex -0.1291260E-02 Delta_ec 0.4301766E-03 Delta_et -0.2809916E-02 Pxc 0.4232647E+01 Qxc -0.3001697E+01 3,+1 85 3 +1 0.543225 1.486576 0.855881 Rho 0.7392049E-02 |GRAD(Rho)| 0.9403309E-17 GRAD(Rho)x -0.7696317E-17 GRAD(Rho)y -0.4447083E-17 GRAD(Rho)z -0.3067960E-17 Laplacian 0.2909725E-01 (-1/4)Del**2(Rho)) -0.7274311E-02 Diamond 0.6547371E-03 Metallicity 0.6643079E+00 Ellipticity -0.1411891E+01 Gb(Abramov) 0.5654938E-02 Vb(Abramov) -0.4035565E-02 Hb(Abramov) 0.1619373E-02 Ex_ueg -0.1063502E-02 Ec_ueg -0.2512616E-03 Delta_ex -0.1291260E-02 Delta_ec 0.4301766E-03 Delta_et -0.2809916E-02 Pxc 0.4232647E+01 Qxc -0.3001697E+01 3,+1 86 3 -1 -1.980975 2.714521 -1.504561 Rho 0.1233872E+00 |GRAD(Rho)| 0.1285530E-13 GRAD(Rho)x 0.1015303E-13 GRAD(Rho)y -0.9271284E-16 GRAD(Rho)z 0.7884552E-14 Laplacian 0.4915483E+00 (-1/4)Del**2(Rho)) -0.1228871E+00 Diamond 0.7841129E+00 Metallicity 0.4287100E+01 Ellipticity 0.2498067E-01 Gb(Abramov) 0.1697296E+00 Vb(Abramov) -0.2165720E+00 Hb(Abramov) -0.4684249E-01 Ex_ueg -0.4536751E-01 Ec_ueg -0.6762370E-02 Delta_ex -0.5029745E-01 Delta_ec 0.1299021E-01 Delta_et -0.1676220E+00 Pxc 0.6708819E+01 Qxc -0.3871951E+01 3,-1 87 3 +1 -2.006291 2.881721 0.000000 Rho 0.1262639E-01 |GRAD(Rho)| 0.1909127E-14 GRAD(Rho)x 0.1242108E-14 GRAD(Rho)y -0.1059464E-14 GRAD(Rho)z 0.9896811E-15 Laplacian 0.5948837E-01 (-1/4)Del**2(Rho)) -0.1487209E-01 Diamond 0.2005394E-02 Metallicity 0.7930727E+00 Ellipticity -0.1118207E+01 Gb(Abramov) 0.1188050E-01 Vb(Abramov) -0.8888914E-02 Hb(Abramov) 0.2991589E-02 Ex_ueg -0.2171487E-02 Ec_ueg -0.4885619E-03 Delta_ex -0.2815015E-02 Delta_ec 0.5066846E-03 Delta_et -0.4045064E-02 Pxc 0.4444650E+01 Qxc -0.5555753E+01 3,+1 88 3 +3 -1.898654 2.716768 0.000000 Rho 0.1252993E-01 |GRAD(Rho)| 0.2219579E-15 GRAD(Rho)x 0.1314933E-15 GRAD(Rho)y -0.1788150E-15 GRAD(Rho)z -0.1515606E-18 Laplacian 0.5801946E-01 (-1/4)Del**2(Rho)) -0.1450486E-01 Diamond 0.1439655E-02 Metallicity 0.8028240E+00 Ellipticity -0.8132081E+00 Gb(Abramov) 0.1161072E-01 Vb(Abramov) -0.8716573E-02 Hb(Abramov) 0.2894146E-02 Ex_ueg -0.2149396E-02 Ec_ueg -0.4840872E-03 Delta_ex -0.2604448E-02 Delta_ec 0.2527962E-03 Delta_et -0.2291039E-02 Pxc 0.4440101E+01 Qxc -0.1030256E+02 3,+3 89 3 -1 -1.980975 2.714521 1.504561 Rho 0.1233872E+00 |GRAD(Rho)| 0.2088689E-14 GRAD(Rho)x -0.1103731E-14 GRAD(Rho)y -0.1586893E-14 GRAD(Rho)z 0.7913083E-15 Laplacian 0.4915483E+00 (-1/4)Del**2(Rho)) -0.1228871E+00 Diamond 0.7841129E+00 Metallicity 0.4287100E+01 Ellipticity 0.2498067E-01 Gb(Abramov) 0.1697296E+00 Vb(Abramov) -0.2165720E+00 Hb(Abramov) -0.4684249E-01 Ex_ueg -0.4536751E-01 Ec_ueg -0.6762370E-02 Delta_ex -0.5029745E-01 Delta_ec 0.1299021E-01 Delta_et -0.1676220E+00 Pxc 0.6708819E+01 Qxc -0.3871951E+01 3,-1 90 3 -1 -2.190122 -2.918029 -1.718034 Rho 0.2189880E+00 |GRAD(Rho)| 0.4911152E-14 GRAD(Rho)x -0.1483161E-14 GRAD(Rho)y -0.4552782E-14 GRAD(Rho)z 0.1091706E-14 Laplacian 0.8386847E+00 (-1/4)Del**2(Rho)) -0.2096712E+00 Diamond 0.2629962E+01 Metallicity 0.6537046E+01 Ellipticity 0.1320977E-01 Gb(Abramov) 0.3682191E+00 Vb(Abramov) -0.5267671E+00 Hb(Abramov) -0.1585479E+00 Ex_ueg -0.9748670E-01 Ec_ueg -0.1299872E-01 Delta_ex -0.9878646E-01 Delta_ec 0.1874083E-01 Delta_et -0.2573791E+00 Pxc 0.7499717E+01 Qxc -0.5271189E+01 3,-1 91 3 -1 -2.190122 -2.918029 1.718034 Rho 0.2189880E+00 |GRAD(Rho)| 0.7978080E-14 GRAD(Rho)x -0.6216815E-15 GRAD(Rho)y -0.7790372E-14 GRAD(Rho)z -0.1604173E-14 Laplacian 0.8386847E+00 (-1/4)Del**2(Rho)) -0.2096712E+00 Diamond 0.2629962E+01 Metallicity 0.6537046E+01 Ellipticity 0.1320977E-01 Gb(Abramov) 0.3682191E+00 Vb(Abramov) -0.5267671E+00 Hb(Abramov) -0.1585479E+00 Ex_ueg -0.9748670E-01 Ec_ueg -0.1299872E-01 Delta_ex -0.9878646E-01 Delta_ec 0.1874083E-01 Delta_et -0.2573791E+00 Pxc 0.7499717E+01 Qxc -0.5271189E+01 3,-1 92 3 +3 -2.344267 -0.125612 -0.000000 Rho 0.5034078E-02 |GRAD(Rho)| 0.1132550E-15 GRAD(Rho)x 0.9066699E-16 GRAD(Rho)y 0.6785783E-16 GRAD(Rho)z -0.1225949E-17 Laplacian 0.2039425E-01 (-1/4)Del**2(Rho)) -0.5098562E-02 Diamond 0.2077100E-03 Metallicity 0.4996188E+00 Ellipticity -0.7801760E+00 Gb(Abramov) 0.3823598E-02 Vb(Abramov) -0.2548633E-02 Hb(Abramov) 0.1274964E-02 Ex_ueg -0.6372038E-03 Ec_ueg -0.1483796E-03 Delta_ex -0.7647916E-03 Delta_ec 0.1949176E-03 Delta_et -0.1241427E-02 Pxc 0.4294416E+01 Qxc -0.3923667E+01 3,+3 93 3 +1 -1.212124 2.390390 -0.664445 Rho 0.2717602E-01 |GRAD(Rho)| 0.2028343E-16 GRAD(Rho)x 0.6312037E-17 GRAD(Rho)y 0.1671662E-16 GRAD(Rho)z 0.9598455E-17 Laplacian 0.1089508E+00 (-1/4)Del**2(Rho)) -0.2723771E-01 Diamond 0.1706311E-01 Metallicity 0.1553671E+01 Ellipticity -0.6368165E+01 Gb(Abramov) 0.2521154E-01 Vb(Abramov) -0.2318538E-01 Hb(Abramov) 0.2026165E-02 Ex_ueg -0.6034382E-02 Ec_ueg -0.1198885E-02 Delta_ex -0.7034061E-02 Delta_ec 0.2035831E-02 Delta_et -0.1830687E-01 Pxc 0.5033328E+01 Qxc -0.3455129E+01 3,+1 94 3 +1 -1.212124 2.390390 0.664445 Rho 0.2717602E-01 |GRAD(Rho)| 0.1653615E-16 GRAD(Rho)x 0.2765055E-17 GRAD(Rho)y 0.4632149E-17 GRAD(Rho)z -0.1563144E-16 Laplacian 0.1089508E+00 (-1/4)Del**2(Rho)) -0.2723771E-01 Diamond 0.1706311E-01 Metallicity 0.1553671E+01 Ellipticity -0.6368165E+01 Gb(Abramov) 0.2521154E-01 Vb(Abramov) -0.2318538E-01 Hb(Abramov) 0.2026165E-02 Ex_ueg -0.6034382E-02 Ec_ueg -0.1198885E-02 Delta_ex -0.7034061E-02 Delta_ec 0.2035831E-02 Delta_et -0.1830687E-01 Pxc 0.5033328E+01 Qxc -0.3455129E+01 3,+1 95 3 +3 0.065101 1.554526 1.617445 Rho 0.4507105E-02 |GRAD(Rho)| 0.4216812E-15 GRAD(Rho)x 0.3270956E-15 GRAD(Rho)y -0.1754259E-15 GRAD(Rho)z -0.2001231E-15 Laplacian 0.1848295E-01 (-1/4)Del**2(Rho)) -0.4620737E-02 Diamond 0.1431399E-03 Metallicity 0.4584986E+00 Ellipticity -0.3596535E+00 Gb(Abramov) 0.3433592E-02 Vb(Abramov) -0.2246446E-02 Hb(Abramov) 0.1187145E-02 Ex_ueg -0.5498555E-03 Ec_ueg -0.1257636E-03 Delta_ex -0.6537231E-03 Delta_ec 0.1407375E-03 Delta_et -0.9210552E-03 Pxc 0.4372137E+01 Qxc -0.4644983E+01 3,+3 96 3 +3 0.065101 1.554526 -1.617445 Rho 0.4507105E-02 |GRAD(Rho)| 0.4181594E-15 GRAD(Rho)x 0.3225765E-15 GRAD(Rho)y -0.1788834E-15 GRAD(Rho)z 0.1969834E-15 Laplacian 0.1848295E-01 (-1/4)Del**2(Rho)) -0.4620737E-02 Diamond 0.1431399E-03 Metallicity 0.4584986E+00 Ellipticity -0.3596535E+00 Gb(Abramov) 0.3433592E-02 Vb(Abramov) -0.2246446E-02 Hb(Abramov) 0.1187145E-02 Ex_ueg -0.5498555E-03 Ec_ueg -0.1257636E-03 Delta_ex -0.6537231E-03 Delta_ec 0.1407375E-03 Delta_et -0.9210552E-03 Pxc 0.4372137E+01 Qxc -0.4644983E+01 3,+3 97 3 +1 -0.529441 0.750133 -1.563415 Rho 0.8425120E-02 |GRAD(Rho)| 0.1119060E-14 GRAD(Rho)x 0.4538365E-15 GRAD(Rho)y -0.1644766E-15 GRAD(Rho)z 0.1009591E-14 Laplacian 0.3271401E-01 (-1/4)Del**2(Rho)) -0.8178502E-02 Diamond 0.8366717E-03 Metallicity 0.7348064E+00 Ellipticity -0.1421440E+01 Gb(Abramov) 0.6453937E-02 Vb(Abramov) -0.4729372E-02 Hb(Abramov) 0.1724565E-02 Ex_ueg -0.1266154E-02 Ec_ueg -0.2971623E-03 Delta_ex -0.1479984E-02 Delta_ec 0.4482447E-03 Delta_et -0.3057468E-02 Pxc 0.4260816E+01 Qxc -0.3301732E+01 3,+1 98 3 +1 2.216247 -0.241081 -1.742357 Rho 0.2265167E-01 |GRAD(Rho)| 0.2073579E-11 GRAD(Rho)x 0.1251566E-11 GRAD(Rho)y 0.1577485E-11 GRAD(Rho)z -0.4948269E-12 Laplacian 0.8745420E-01 (-1/4)Del**2(Rho)) -0.2186355E-01 Diamond 0.9767223E-02 Metallicity 0.1428892E+01 Ellipticity -0.2940709E+01 Gb(Abramov) 0.1978248E-01 Vb(Abramov) -0.1770140E-01 Hb(Abramov) 0.2081074E-02 Ex_ueg -0.4733532E-02 Ec_ueg -0.9712218E-03 Delta_ex -0.5271070E-02 Delta_ec 0.1435593E-02 Delta_et -0.1238232E-01 Pxc 0.4873790E+01 Qxc -0.3671702E+01 3,+1 99 3 +1 2.216247 -0.241081 1.742357 Rho 0.2265167E-01 |GRAD(Rho)| 0.2073540E-11 GRAD(Rho)x 0.1251491E-11 GRAD(Rho)y 0.1577506E-11 GRAD(Rho)z 0.4947884E-12 Laplacian 0.8745420E-01 (-1/4)Del**2(Rho)) -0.2186355E-01 Diamond 0.9767223E-02 Metallicity 0.1428892E+01 Ellipticity -0.2940709E+01 Gb(Abramov) 0.1978248E-01 Vb(Abramov) -0.1770140E-01 Hb(Abramov) 0.2081074E-02 Ex_ueg -0.4733532E-02 Ec_ueg -0.9712218E-03 Delta_ex -0.5271070E-02 Delta_ec 0.1435593E-02 Delta_et -0.1238232E-01 Pxc 0.4873790E+01 Qxc -0.3671702E+01 3,+1 100 3 -1 -0.046460 2.140757 -2.048166 Rho 0.5881037E-02 |GRAD(Rho)| 0.3735640E-17 GRAD(Rho)x -0.1332757E-17 GRAD(Rho)y 0.3486352E-17 GRAD(Rho)z 0.1552752E-18 Laplacian 0.2368086E-01 (-1/4)Del**2(Rho)) -0.5920215E-02 Diamond 0.7911497E-03 Metallicity 0.5575779E+00 Ellipticity 0.2791827E+01 Gb(Abramov) 0.4496974E-02 Vb(Abramov) -0.3073732E-02 Hb(Abramov) 0.1423242E-02 Ex_ueg -0.7840136E-03 Ec_ueg -0.1850222E-03 Delta_ex -0.1293230E-02 Delta_ec 0.8848205E-03 Delta_et -0.4989866E-02 Pxc 0.4237402E+01 Qxc -0.1461573E+01 3,-1 101 3 +1 -0.160377 2.218125 -1.967259 Rho 0.5864647E-02 |GRAD(Rho)| 0.3160776E-15 GRAD(Rho)x -0.2259682E-15 GRAD(Rho)y 0.1735637E-15 GRAD(Rho)z 0.1368177E-15 Laplacian 0.2422652E-01 (-1/4)Del**2(Rho)) -0.6056630E-02 Diamond 0.6874218E-03 Metallicity 0.5424902E+00 Ellipticity -0.3394233E+01 Gb(Abramov) 0.4585364E-02 Vb(Abramov) -0.3114097E-02 Hb(Abramov) 0.1471266E-02 Ex_ueg -0.7811016E-03 Ec_ueg -0.1843098E-03 Delta_ex -0.1233068E-02 Delta_ec 0.7458160E-03 Delta_et -0.4255565E-02 Pxc 0.4237983E+01 Qxc -0.1653314E+01 3,+1 102 3 +1 -0.160377 2.218125 1.967259 Rho 0.5864647E-02 |GRAD(Rho)| 0.3142142E-15 GRAD(Rho)x -0.2181865E-15 GRAD(Rho)y 0.1758994E-15 GRAD(Rho)z -0.1420727E-15 Laplacian 0.2422652E-01 (-1/4)Del**2(Rho)) -0.6056630E-02 Diamond 0.6874218E-03 Metallicity 0.5424902E+00 Ellipticity -0.3394233E+01 Gb(Abramov) 0.4585364E-02 Vb(Abramov) -0.3114097E-02 Hb(Abramov) 0.1471266E-02 Ex_ueg -0.7811016E-03 Ec_ueg -0.1843098E-03 Delta_ex -0.1233068E-02 Delta_ec 0.7458160E-03 Delta_et -0.4255565E-02 Pxc 0.4237983E+01 Qxc -0.1653314E+01 3,+1 103 3 -1 -0.046460 2.140757 2.048166 Rho 0.5881037E-02 |GRAD(Rho)| 0.6609475E-17 GRAD(Rho)x -0.2934543E-17 GRAD(Rho)y -0.4620797E-17 GRAD(Rho)z 0.3704303E-17 Laplacian 0.2368086E-01 (-1/4)Del**2(Rho)) -0.5920215E-02 Diamond 0.7911497E-03 Metallicity 0.5575779E+00 Ellipticity 0.2791827E+01 Gb(Abramov) 0.4496974E-02 Vb(Abramov) -0.3073732E-02 Hb(Abramov) 0.1423242E-02 Ex_ueg -0.7840136E-03 Ec_ueg -0.1850222E-03 Delta_ex -0.1293230E-02 Delta_ec 0.8848205E-03 Delta_et -0.4989866E-02 Pxc 0.4237402E+01 Qxc -0.1461573E+01 3,-1 104 3 +1 -0.294483 -2.732214 -1.227026 Rho 0.2766205E-02 |GRAD(Rho)| 0.1400922E-15 GRAD(Rho)x 0.1208692E-15 GRAD(Rho)y 0.6596973E-16 GRAD(Rho)z -0.2577692E-16 Laplacian 0.1106354E-01 (-1/4)Del**2(Rho)) -0.2765885E-02 Diamond 0.9001378E-04 Metallicity 0.3395155E+00 Ellipticity -0.1315943E+01 Gb(Abramov) 0.2000434E-02 Vb(Abramov) -0.1234982E-02 Hb(Abramov) 0.7654516E-03 Ex_ueg -0.2867901E-03 Ec_ueg -0.5208761E-04 Delta_ex -0.4389305E-03 Delta_ec 0.2514123E-03 Delta_et -0.1181975E-02 Pxc 0.5505919E+01 Qxc -0.1745859E+01 3,+1 105 3 -1 -0.521647 2.423616 -0.000000 Rho 0.4324944E-01 |GRAD(Rho)| 0.2482211E-12 GRAD(Rho)x -0.8607621E-13 GRAD(Rho)y -0.2328188E-12 GRAD(Rho)z 0.9072222E-18 Laplacian 0.1723022E+00 (-1/4)Del**2(Rho)) -0.4307554E-01 Diamond 0.7076989E-01 Metallicity 0.2131195E+01 Ellipticity 0.1542419E-01 Gb(Abramov) 0.4401743E-01 Vb(Abramov) -0.4495931E-01 Hb(Abramov) -0.9418840E-03 Ex_ueg -0.1121224E-01 Ec_ueg -0.2045274E-02 Delta_ex -0.1362731E-01 Delta_ec 0.5051190E-02 Delta_et -0.5124788E-01 Pxc 0.5482023E+01 Qxc -0.2697841E+01 3,-1 106 3 +1 1.673961 -0.783180 0.000000 Rho 0.8933915E-02 |GRAD(Rho)| 0.3407952E-17 GRAD(Rho)x 0.2991992E-17 GRAD(Rho)y 0.1584817E-17 GRAD(Rho)z -0.3879168E-18 Laplacian 0.3602252E-01 (-1/4)Del**2(Rho)) -0.9005629E-02 Diamond 0.9976349E-03 Metallicity 0.7358266E+00 Ellipticity -0.1405368E+01 Gb(Abramov) 0.7108183E-02 Vb(Abramov) -0.5210737E-02 Hb(Abramov) 0.1897446E-02 Ex_ueg -0.1369118E-02 Ec_ueg -0.3199450E-03 Delta_ex -0.1654018E-02 Delta_ec 0.4933179E-03 Delta_et -0.3415850E-02 Pxc 0.4279228E+01 Qxc -0.3352844E+01 3,+1 107 3 -1 -0.547804 0.697836 -3.216025 Rho 0.1292835E+00 |GRAD(Rho)| 0.1087707E-11 GRAD(Rho)x -0.6952503E-12 GRAD(Rho)y 0.7504906E-12 GRAD(Rho)z 0.3694567E-12 Laplacian 0.5377161E+00 (-1/4)Del**2(Rho)) -0.1344290E+00 Diamond 0.8969517E+00 Metallicity 0.4236092E+01 Ellipticity 0.1215924E-01 Gb(Abramov) 0.1845283E+00 Vb(Abramov) -0.2346276E+00 Hb(Abramov) -0.5009929E-01 Ex_ueg -0.4828097E-01 Ec_ueg -0.7130866E-02 Delta_ex -0.5551755E-01 Delta_ec 0.1383006E-01 Delta_et -0.1794262E+00 Pxc 0.6770702E+01 Qxc -0.4014268E+01 3,-1 108 3 -1 -0.505312 0.573334 0.000000 Rho 0.1732224E+00 |GRAD(Rho)| 0.2453563E-12 GRAD(Rho)x 0.1209987E-12 GRAD(Rho)y -0.2132843E-12 GRAD(Rho)z -0.8296855E-14 Laplacian 0.4401658E+00 (-1/4)Del**2(Rho)) -0.1100414E+00 Diamond 0.1082265E+01 Metallicity 0.8426952E+01 Ellipticity 0.5050847E-02 Gb(Abramov) 0.2279133E+00 Vb(Abramov) -0.3457851E+00 Hb(Abramov) -0.1178718E+00 Ex_ueg -0.7131660E-01 Ec_ueg -0.9946306E-02 Delta_ex -0.4916894E-01 Delta_ec 0.1108918E-01 Delta_et -0.1512364E+00 Pxc 0.7170159E+01 Qxc -0.4433957E+01 3,-1 109 3 +1 -0.529441 0.750133 1.563415 Rho 0.8425120E-02 |GRAD(Rho)| 0.5179128E-15 GRAD(Rho)x 0.1232079E-15 GRAD(Rho)y -0.4830377E-17 GRAD(Rho)z -0.5030211E-15 Laplacian 0.3271401E-01 (-1/4)Del**2(Rho)) -0.8178502E-02 Diamond 0.8366717E-03 Metallicity 0.7348064E+00 Ellipticity -0.1421440E+01 Gb(Abramov) 0.6453937E-02 Vb(Abramov) -0.4729372E-02 Hb(Abramov) 0.1724565E-02 Ex_ueg -0.1266154E-02 Ec_ueg -0.2971623E-03 Delta_ex -0.1479984E-02 Delta_ec 0.4482447E-03 Delta_et -0.3057468E-02 Pxc 0.4260816E+01 Qxc -0.3301732E+01 3,+1 110 3 -1 -0.547804 0.697836 3.216025 Rho 0.1292835E+00 |GRAD(Rho)| 0.9281313E-12 GRAD(Rho)x -0.5976139E-12 GRAD(Rho)y 0.6432781E-12 GRAD(Rho)z -0.3007968E-12 Laplacian 0.5377161E+00 (-1/4)Del**2(Rho)) -0.1344290E+00 Diamond 0.8969517E+00 Metallicity 0.4236092E+01 Ellipticity 0.1215924E-01 Gb(Abramov) 0.1845283E+00 Vb(Abramov) -0.2346276E+00 Hb(Abramov) -0.5009929E-01 Ex_ueg -0.4828097E-01 Ec_ueg -0.7130866E-02 Delta_ex -0.5551755E-01 Delta_ec 0.1383006E-01 Delta_et -0.1794262E+00 Pxc 0.6770702E+01 Qxc -0.4014268E+01 3,-1 111 3 -1 -0.833697 3.530339 -0.708558 Rho 0.1450128E+00 |GRAD(Rho)| 0.8582554E-12 GRAD(Rho)x 0.6214326E-12 GRAD(Rho)y 0.4323376E-12 GRAD(Rho)z 0.4043611E-12 Laplacian 0.5689069E+00 (-1/4)Del**2(Rho)) -0.1422267E+00 Diamond 0.1107542E+01 Metallicity 0.4848221E+01 Ellipticity 0.3587600E-01 Gb(Abramov) 0.2097423E+00 Vb(Abramov) -0.2772578E+00 Hb(Abramov) -0.6751553E-01 Ex_ueg -0.5626782E-01 Ec_ueg -0.8125028E-02 Delta_ex -0.6059626E-01 Delta_ec 0.1456563E-01 Delta_et -0.1929905E+00 Pxc 0.6925246E+01 Qxc -0.4160222E+01 3,-1 112 3 -1 -0.833697 3.530339 0.708558 Rho 0.1450128E+00 |GRAD(Rho)| 0.1079377E-11 GRAD(Rho)x -0.7455720E-12 GRAD(Rho)y -0.6114889E-12 GRAD(Rho)z 0.4850351E-12 Laplacian 0.5689069E+00 (-1/4)Del**2(Rho)) -0.1422267E+00 Diamond 0.1107542E+01 Metallicity 0.4848221E+01 Ellipticity 0.3587600E-01 Gb(Abramov) 0.2097423E+00 Vb(Abramov) -0.2772578E+00 Hb(Abramov) -0.6751553E-01 Ex_ueg -0.5626782E-01 Ec_ueg -0.8125028E-02 Delta_ex -0.6059626E-01 Delta_ec 0.1456563E-01 Delta_et -0.1929905E+00 Pxc 0.6925246E+01 Qxc -0.4160222E+01 3,-1 113 3 -1 0.880616 -0.684302 -3.516542 Rho 0.1347920E+00 |GRAD(Rho)| 0.3211143E-15 GRAD(Rho)x 0.2349602E-15 GRAD(Rho)y -0.2180466E-15 GRAD(Rho)z -0.1907349E-16 Laplacian 0.5257270E+00 (-1/4)Del**2(Rho)) -0.1314318E+00 Diamond 0.9266283E+00 Metallicity 0.4644720E+01 Ellipticity 0.7332803E-01 Gb(Abramov) 0.1893651E+00 Vb(Abramov) -0.2472985E+00 Hb(Abramov) -0.5793336E-01 Ex_ueg -0.5104310E-01 Ec_ueg -0.7477208E-02 Delta_ex -0.5488508E-01 Delta_ec 0.1347984E-01 Delta_et -0.1762071E+00 Pxc 0.6826492E+01 Qxc -0.4071642E+01 3,-1 114 3 -1 0.880616 -0.684302 3.516542 Rho 0.1347920E+00 |GRAD(Rho)| 0.4443464E-15 GRAD(Rho)x -0.3037934E-15 GRAD(Rho)y 0.3213846E-15 GRAD(Rho)z 0.4318767E-16 Laplacian 0.5257270E+00 (-1/4)Del**2(Rho)) -0.1314318E+00 Diamond 0.9266283E+00 Metallicity 0.4644720E+01 Ellipticity 0.7332803E-01 Gb(Abramov) 0.1893651E+00 Vb(Abramov) -0.2472985E+00 Hb(Abramov) -0.5793336E-01 Ex_ueg -0.5104310E-01 Ec_ueg -0.7477208E-02 Delta_ex -0.5488508E-01 Delta_ec 0.1347984E-01 Delta_et -0.1762071E+00 Pxc 0.6826492E+01 Qxc -0.4071642E+01 3,-1 115 3 -1 -0.559771 -0.681885 -3.205684 Rho 0.1397110E+00 |GRAD(Rho)| 0.1448477E-15 GRAD(Rho)x -0.1399163E-15 GRAD(Rho)y 0.3314948E-16 GRAD(Rho)z 0.1747598E-16 Laplacian 0.5892362E+00 (-1/4)Del**2(Rho)) -0.1473091E+00 Diamond 0.1071430E+01 Metallicity 0.4399212E+01 Ellipticity 0.3000525E-01 Gb(Abramov) 0.2062133E+00 Vb(Abramov) -0.2651176E+00 Hb(Abramov) -0.5890426E-01 Ex_ueg -0.5354176E-01 Ec_ueg -0.7788160E-02 Delta_ex -0.6191445E-01 Delta_ec 0.1472570E-01 Delta_et -0.1930031E+00 Pxc 0.6874763E+01 Qxc -0.4204518E+01 3,-1 116 3 +1 0.208947 1.976494 -2.239282 Rho 0.5736094E-02 |GRAD(Rho)| 0.2704491E-16 GRAD(Rho)x 0.2045294E-16 GRAD(Rho)y 0.1165030E-16 GRAD(Rho)z 0.1331821E-16 Laplacian 0.2405146E-01 (-1/4)Del**2(Rho)) -0.6012866E-02 Diamond 0.6011112E-03 Metallicity 0.5266217E+00 Ellipticity -0.2034285E+01 Gb(Abramov) 0.4536328E-02 Vb(Abramov) -0.3059791E-02 Hb(Abramov) 0.1476538E-02 Ex_ueg -0.7583565E-03 Ec_ueg -0.1787262E-03 Delta_ex -0.1171390E-02 Delta_ec 0.6558229E-03 Delta_et -0.3751754E-02 Pxc 0.4243119E+01 Qxc -0.1786138E+01 3,+1 117 3 -1 -0.560101 -0.793624 0.000000 Rho 0.1876411E+00 |GRAD(Rho)| 0.1757802E-12 GRAD(Rho)x 0.6269985E-13 GRAD(Rho)y 0.1642124E-12 GRAD(Rho)z -0.1298036E-14 Laplacian 0.5007865E+00 (-1/4)Del**2(Rho)) -0.1251966E+00 Diamond 0.1333536E+01 Metallicity 0.8462665E+01 Ellipticity 0.2618777E-01 Gb(Abramov) 0.2600473E+00 Vb(Abramov) -0.3948980E+00 Hb(Abramov) -0.1348507E+00 Ex_ueg -0.7933942E-01 Ec_ueg -0.1089524E-01 Delta_ex -0.5690985E-01 Delta_ec 0.1206844E-01 Delta_et -0.1652091E+00 Pxc 0.7282025E+01 Qxc -0.4715592E+01 3,-1 118 3 -1 -0.559771 -0.681885 3.205684 Rho 0.1397110E+00 |GRAD(Rho)| 0.3810822E-12 GRAD(Rho)x 0.2428833E-12 GRAD(Rho)y 0.2322062E-12 GRAD(Rho)z 0.1797544E-12 Laplacian 0.5892362E+00 (-1/4)Del**2(Rho)) -0.1473091E+00 Diamond 0.1071430E+01 Metallicity 0.4399212E+01 Ellipticity 0.3000525E-01 Gb(Abramov) 0.2062133E+00 Vb(Abramov) -0.2651176E+00 Hb(Abramov) -0.5890426E-01 Ex_ueg -0.5354176E-01 Ec_ueg -0.7788160E-02 Delta_ex -0.6191445E-01 Delta_ec 0.1472570E-01 Delta_et -0.1930031E+00 Pxc 0.6874763E+01 Qxc -0.4204518E+01 3,-1 119 3 +1 0.208947 1.976494 2.239282 Rho 0.5736094E-02 |GRAD(Rho)| 0.2894023E-16 GRAD(Rho)x -0.2539097E-16 GRAD(Rho)y -0.9181608E-17 GRAD(Rho)z 0.1041792E-16 Laplacian 0.2405146E-01 (-1/4)Del**2(Rho)) -0.6012866E-02 Diamond 0.6011112E-03 Metallicity 0.5266217E+00 Ellipticity -0.2034285E+01 Gb(Abramov) 0.4536328E-02 Vb(Abramov) -0.3059791E-02 Hb(Abramov) 0.1476538E-02 Ex_ueg -0.7583565E-03 Ec_ueg -0.1787262E-03 Delta_ex -0.1171390E-02 Delta_ec 0.6558229E-03 Delta_et -0.3751754E-02 Pxc 0.4243119E+01 Qxc -0.1786138E+01 3,+1 120 3 -1 1.475504 -3.075562 -0.000000 Rho 0.7531289E-02 |GRAD(Rho)| 0.5252311E-17 GRAD(Rho)x 0.5890441E-18 GRAD(Rho)y -0.2023876E-17 GRAD(Rho)z -0.4810793E-17 Laplacian 0.3103599E-01 (-1/4)Del**2(Rho)) -0.7758996E-02 Diamond 0.1677919E-02 Metallicity 0.6424852E+00 Ellipticity 0.4491313E+00 Gb(Abramov) 0.6003504E-02 Vb(Abramov) -0.4248012E-02 Hb(Abramov) 0.1755492E-02 Ex_ueg -0.1090295E-02 Ec_ueg -0.2574198E-03 Delta_ex -0.1900821E-02 Delta_ec 0.1382159E-02 Delta_et -0.8331979E-02 Pxc 0.4235476E+01 Qxc -0.1375255E+01 3,-1 121 3 -1 2.014441 -1.540247 -2.714511 Rho 0.1185074E+00 |GRAD(Rho)| 0.3774103E-15 GRAD(Rho)x -0.2376029E-15 GRAD(Rho)y 0.1576803E-15 GRAD(Rho)z -0.2472252E-15 Laplacian 0.4459055E+00 (-1/4)Del**2(Rho)) -0.1114764E+00 Diamond 0.6856349E+00 Metallicity 0.4418544E+01 Ellipticity 0.3411072E-01 Gb(Abramov) 0.1564115E+00 Vb(Abramov) -0.2013466E+00 Hb(Abramov) -0.4493509E-01 Ex_ueg -0.4299113E-01 Ec_ueg -0.6459203E-02 Delta_ex -0.4529837E-01 Delta_ec 0.1209137E-01 Delta_et -0.1552626E+00 Pxc 0.6655794E+01 Qxc -0.3746339E+01 3,-1 122 3 -1 0.523062 -0.058398 -2.418292 Rho 0.4908091E-01 |GRAD(Rho)| 0.8102289E-15 GRAD(Rho)x 0.2822032E-15 GRAD(Rho)y -0.4313118E-16 GRAD(Rho)z 0.7582690E-15 Laplacian 0.2011218E+00 (-1/4)Del**2(Rho)) -0.5028045E-01 Diamond 0.1013035E+00 Metallicity 0.2254283E+01 Ellipticity 0.1196218E-01 Gb(Abramov) 0.5241136E-01 Vb(Abramov) -0.5454227E-01 Hb(Abramov) -0.2130911E-02 Ex_ueg -0.1327197E-01 Ec_ueg -0.2364134E-02 Delta_ex -0.1656117E-01 Delta_ec 0.6142435E-02 Delta_et -0.6449733E-01 Pxc 0.5613882E+01 Qxc -0.2696190E+01 3,-1 123 3 -1 0.563616 3.239942 -0.689891 Rho 0.1524362E+00 |GRAD(Rho)| 0.9558080E-14 GRAD(Rho)x 0.5439984E-14 GRAD(Rho)y -0.6856684E-14 GRAD(Rho)z -0.3840488E-14 Laplacian 0.6323306E+00 (-1/4)Del**2(Rho)) -0.1580827E+00 Diamond 0.1305339E+01 Metallicity 0.4740409E+01 Ellipticity 0.1556399E-01 Gb(Abramov) 0.2302845E+00 Vb(Abramov) -0.3024864E+00 Hb(Abramov) -0.7220186E-01 Ex_ueg -0.6014080E-01 Ec_ueg -0.8599648E-02 Delta_ex -0.6816522E-01 Delta_ec 0.1596003E-01 Delta_et -0.2128856E+00 Pxc 0.6993403E+01 Qxc -0.4270996E+01 3,-1 124 3 -1 0.563616 3.239942 0.689891 Rho 0.1524362E+00 |GRAD(Rho)| 0.5402721E-14 GRAD(Rho)x 0.1126378E-14 GRAD(Rho)y -0.2283194E-14 GRAD(Rho)z 0.4765258E-14 Laplacian 0.6323306E+00 (-1/4)Del**2(Rho)) -0.1580827E+00 Diamond 0.1305339E+01 Metallicity 0.4740409E+01 Ellipticity 0.1556399E-01 Gb(Abramov) 0.2302845E+00 Vb(Abramov) -0.3024864E+00 Hb(Abramov) -0.7220186E-01 Ex_ueg -0.6014080E-01 Ec_ueg -0.8599648E-02 Delta_ex -0.6816522E-01 Delta_ec 0.1596003E-01 Delta_et -0.2128856E+00 Pxc 0.6993403E+01 Qxc -0.4270996E+01 3,-1 125 3 +1 1.771038 2.517645 0.000000 Rho 0.1213555E-01 |GRAD(Rho)| 0.5511498E-13 GRAD(Rho)x -0.2994286E-13 GRAD(Rho)y -0.4627187E-13 GRAD(Rho)z -0.1089844E-17 Laplacian 0.6048865E-01 (-1/4)Del**2(Rho)) -0.1512216E-01 Diamond 0.2445578E-02 Metallicity 0.7300818E+00 Ellipticity -0.1258784E+01 Gb(Abramov) 0.1192151E-01 Vb(Abramov) -0.8720859E-02 Hb(Abramov) 0.3200652E-02 Ex_ueg -0.2059669E-02 Ec_ueg -0.4658299E-03 Delta_ex -0.2977600E-02 Delta_ec 0.7770909E-03 Delta_et -0.5849058E-02 Pxc 0.4421505E+01 Qxc -0.3831727E+01 3,+1 126 3 +3 -0.260472 -2.469719 -1.569254 Rho 0.2633633E-02 |GRAD(Rho)| 0.1667625E-17 GRAD(Rho)x 0.1310799E-17 GRAD(Rho)y -0.9458456E-18 GRAD(Rho)z 0.4100655E-18 Laplacian 0.1059639E-01 (-1/4)Del**2(Rho)) -0.2649098E-02 Diamond 0.6836507E-04 Metallicity 0.3266232E+00 Ellipticity -0.3730572E-01 Gb(Abramov) 0.1910275E-02 Vb(Abramov) -0.1171452E-02 Hb(Abramov) 0.7388233E-03 Ex_ueg -0.2686119E-03 Ec_ueg -0.4654445E-04 Delta_ex -0.3894015E-03 Delta_ec 0.1926646E-03 Delta_et -0.9204291E-03 Pxc 0.5771084E+01 Qxc -0.2021137E+01 3,+3 127 3 +3 -0.260472 -2.469719 1.569254 Rho 0.2633633E-02 |GRAD(Rho)| 0.3147282E-17 GRAD(Rho)x -0.3028108E-17 GRAD(Rho)y 0.3526969E-18 GRAD(Rho)z -0.7820172E-18 Laplacian 0.1059639E-01 (-1/4)Del**2(Rho)) -0.2649098E-02 Diamond 0.6836507E-04 Metallicity 0.3266232E+00 Ellipticity -0.3730572E-01 Gb(Abramov) 0.1910275E-02 Vb(Abramov) -0.1171452E-02 Hb(Abramov) 0.7388233E-03 Ex_ueg -0.2686119E-03 Ec_ueg -0.4654445E-04 Delta_ex -0.3894015E-03 Delta_ec 0.1926646E-03 Delta_et -0.9204291E-03 Pxc 0.5771084E+01 Qxc -0.2021137E+01 3,+3 128 3 -1 0.838783 0.721489 -3.491873 Rho 0.1263296E+00 |GRAD(Rho)| 0.4396697E-12 GRAD(Rho)x 0.3102261E-12 GRAD(Rho)y 0.3100435E-12 GRAD(Rho)z 0.3069591E-13 Laplacian 0.4901095E+00 (-1/4)Del**2(Rho)) -0.1225274E+00 Diamond 0.8005851E+00 Metallicity 0.4471935E+01 Ellipticity 0.5307904E-01 Gb(Abramov) 0.1730073E+00 Vb(Abramov) -0.2234873E+00 Hb(Abramov) -0.5047994E-01 Ex_ueg -0.4681576E-01 Ec_ueg -0.6945968E-02 Delta_ex -0.5038853E-01 Delta_ec 0.1279743E-01 Delta_et -0.1656376E+00 Pxc 0.6739990E+01 Qxc -0.3937395E+01 3,-1 129 3 +1 1.713488 0.730064 -0.000000 Rho 0.6507388E-02 |GRAD(Rho)| 0.5033879E-14 GRAD(Rho)x -0.6510544E-15 GRAD(Rho)y -0.4270767E-14 GRAD(Rho)z -0.2583914E-14 Laplacian 0.2514995E-01 (-1/4)Del**2(Rho)) -0.6287488E-02 Diamond 0.4887855E-03 Metallicity 0.6214705E+00 Ellipticity -0.1409594E+01 Gb(Abramov) 0.4842906E-02 Vb(Abramov) -0.3398325E-02 Hb(Abramov) 0.1444581E-02 Ex_ueg -0.8972787E-03 Ec_ueg -0.2123477E-03 Delta_ex -0.1090038E-02 Delta_ec 0.3867759E-03 Delta_et -0.2430527E-02 Pxc 0.4225517E+01 Qxc -0.2818268E+01 3,+1 130 3 -1 0.838783 0.721489 3.491873 Rho 0.1263296E+00 |GRAD(Rho)| 0.1304442E-15 GRAD(Rho)x 0.9326849E-16 GRAD(Rho)y -0.2636644E-16 GRAD(Rho)z -0.8730114E-16 Laplacian 0.4901095E+00 (-1/4)Del**2(Rho)) -0.1225274E+00 Diamond 0.8005851E+00 Metallicity 0.4471935E+01 Ellipticity 0.5307904E-01 Gb(Abramov) 0.1730073E+00 Vb(Abramov) -0.2234873E+00 Hb(Abramov) -0.5047994E-01 Ex_ueg -0.4681576E-01 Ec_ueg -0.6945968E-02 Delta_ex -0.5038853E-01 Delta_ec 0.1279743E-01 Delta_et -0.1656376E+00 Pxc 0.6739990E+01 Qxc -0.3937395E+01 3,-1 131 3 +1 1.413499 0.763384 -2.234890 Rho 0.2372713E-01 |GRAD(Rho)| 0.3480461E-16 GRAD(Rho)x 0.1744149E-16 GRAD(Rho)y 0.2613460E-16 GRAD(Rho)z -0.1497126E-16 Laplacian 0.9169132E-01 (-1/4)Del**2(Rho)) -0.2292283E-01 Diamond 0.1064780E-01 Metallicity 0.1472404E+01 Ellipticity -0.2882750E+01 Gb(Abramov) 0.2090716E-01 Vb(Abramov) -0.1889150E-01 Hb(Abramov) 0.2015667E-02 Ex_ueg -0.5035531E-02 Ec_ueg -0.1024843E-02 Delta_ex -0.5564156E-02 Delta_ec 0.1449450E-02 Delta_et -0.1265992E-01 Pxc 0.4913466E+01 Qxc -0.3838805E+01 3,+1 132 3 +3 1.132818 1.477030 0.000000 Rho 0.4128569E-02 |GRAD(Rho)| 0.1020579E-17 GRAD(Rho)x 0.5595881E-18 GRAD(Rho)y -0.7631759E-18 GRAD(Rho)z 0.3821065E-18 Laplacian 0.1625689E-01 (-1/4)Del**2(Rho)) -0.4064223E-02 Diamond 0.9792038E-04 Metallicity 0.4503757E+00 Ellipticity -0.4801766E-01 Gb(Abramov) 0.3014553E-02 Vb(Abramov) -0.1964883E-02 Hb(Abramov) 0.1049670E-02 Ex_ueg -0.4891603E-03 Ec_ueg -0.1096065E-03 Delta_ex -0.5454081E-03 Delta_ec 0.9418308E-04 Delta_et -0.6545546E-03 Pxc 0.4462876E+01 Qxc -0.5790935E+01 3,+3 133 3 +1 1.413499 0.763384 2.234890 Rho 0.2372713E-01 |GRAD(Rho)| 0.6146523E-16 GRAD(Rho)x 0.4231029E-18 GRAD(Rho)y 0.1896970E-16 GRAD(Rho)z 0.5846320E-16 Laplacian 0.9169132E-01 (-1/4)Del**2(Rho)) -0.2292283E-01 Diamond 0.1064780E-01 Metallicity 0.1472404E+01 Ellipticity -0.2882750E+01 Gb(Abramov) 0.2090716E-01 Vb(Abramov) -0.1889150E-01 Hb(Abramov) 0.2015667E-02 Ex_ueg -0.5035531E-02 Ec_ueg -0.1024843E-02 Delta_ex -0.5564156E-02 Delta_ec 0.1449450E-02 Delta_et -0.1265992E-01 Pxc 0.4913466E+01 Qxc -0.3838805E+01 3,+1 134 3 +1 1.394723 -0.829191 -2.297135 Rho 0.2839649E-01 |GRAD(Rho)| 0.2381580E-14 GRAD(Rho)x -0.6875431E-15 GRAD(Rho)y 0.1030338E-14 GRAD(Rho)z 0.2034112E-14 Laplacian 0.1141209E+00 (-1/4)Del**2(Rho)) -0.2853023E-01 Diamond 0.1784818E-01 Metallicity 0.1595961E+01 Ellipticity -0.3955411E+01 Gb(Abramov) 0.2660901E-01 Vb(Abramov) -0.2468779E-01 Hb(Abramov) 0.1921223E-02 Ex_ueg -0.6398397E-02 Ec_ueg -0.1261197E-02 Delta_ex -0.7349860E-02 Delta_ec 0.1946332E-02 Delta_et -0.1771717E-01 Pxc 0.5073275E+01 Qxc -0.3776262E+01 3,+1 135 3 +1 1.394723 -0.829191 2.297135 Rho 0.2839649E-01 |GRAD(Rho)| 0.2407543E-14 GRAD(Rho)x -0.7006258E-15 GRAD(Rho)y 0.1047583E-14 GRAD(Rho)z -0.2051331E-14 Laplacian 0.1141209E+00 (-1/4)Del**2(Rho)) -0.2853023E-01 Diamond 0.1784818E-01 Metallicity 0.1595961E+01 Ellipticity -0.3955411E+01 Gb(Abramov) 0.2660901E-01 Vb(Abramov) -0.2468779E-01 Hb(Abramov) 0.1921223E-02 Ex_ueg -0.6398397E-02 Ec_ueg -0.1261197E-02 Delta_ex -0.7349860E-02 Delta_ec 0.1946332E-02 Delta_et -0.1771717E-01 Pxc 0.5073275E+01 Qxc -0.3776262E+01 3,+1 136 3 -1 1.758660 0.804014 1.611205 Rho 0.3239624E-01 |GRAD(Rho)| 0.1338982E-16 GRAD(Rho)x 0.1086775E-16 GRAD(Rho)y 0.1879672E-17 GRAD(Rho)z -0.7592512E-17 Laplacian 0.1316619E+00 (-1/4)Del**2(Rho)) -0.3291547E-01 Diamond 0.3722807E-01 Metallicity 0.1723101E+01 Ellipticity 0.4211400E-01 Gb(Abramov) 0.3139643E-01 Vb(Abramov) -0.2987738E-01 Hb(Abramov) 0.1519043E-02 Ex_ueg -0.7627423E-02 Ec_ueg -0.1467858E-02 Delta_ex -0.9750463E-02 Delta_ec 0.3965953E-02 Delta_et -0.3720974E-01 Pxc 0.5196297E+01 Qxc -0.2458542E+01 3,-1 137 3 +3 1.963927 0.015545 2.699831 Rho 0.1128259E-01 |GRAD(Rho)| 0.1329243E-16 GRAD(Rho)x -0.8370492E-18 GRAD(Rho)y 0.8475488E-18 GRAD(Rho)z -0.1323895E-16 Laplacian 0.5188045E-01 (-1/4)Del**2(Rho)) -0.1297011E-01 Diamond 0.1186066E-02 Metallicity 0.7538602E+00 Ellipticity -0.7873555E+00 Gb(Abramov) 0.1027635E-01 Vb(Abramov) -0.7582588E-02 Hb(Abramov) 0.2693762E-02 Ex_ueg -0.1868946E-02 Ec_ueg -0.4265530E-03 Delta_ex -0.2281870E-02 Delta_ec 0.2676730E-03 Delta_et -0.2298652E-02 Pxc 0.4381510E+01 Qxc -0.8524840E+01 3,+3 138 3 +1 2.065718 0.024873 2.854333 Rho 0.1135779E-01 |GRAD(Rho)| 0.2261097E-16 GRAD(Rho)x -0.1601900E-16 GRAD(Rho)y 0.1142723E-16 GRAD(Rho)z 0.1113848E-16 Laplacian 0.5281456E-01 (-1/4)Del**2(Rho)) -0.1320364E-01 Diamond 0.1619022E-02 Metallicity 0.7487716E+00 Ellipticity -0.1135874E+01 Gb(Abramov) 0.1045018E-01 Vb(Abramov) -0.7696717E-02 Hb(Abramov) 0.2753462E-02 Ex_ueg -0.1885574E-02 Ec_ueg -0.4300042E-03 Delta_ex -0.2451918E-02 Delta_ec 0.4947834E-03 Delta_et -0.3811090E-02 Pxc 0.4385013E+01 Qxc -0.4955539E+01 3,+1 139 3 +1 3.008263 0.085870 -0.260215 Rho 0.5041569E-02 |GRAD(Rho)| 0.2011276E-17 GRAD(Rho)x 0.6929763E-18 GRAD(Rho)y 0.4121844E-18 GRAD(Rho)z -0.1842585E-17 Laplacian 0.2050761E-01 (-1/4)Del**2(Rho)) -0.5126901E-02 Diamond 0.4635916E-03 Metallicity 0.4980899E+00 Ellipticity -0.2474675E+01 Gb(Abramov) 0.3843544E-02 Vb(Abramov) -0.2560186E-02 Hb(Abramov) 0.1283357E-02 Ex_ueg -0.6384683E-03 Ec_ueg -0.1487021E-03 Delta_ex -0.1002881E-02 Delta_ec 0.6129758E-03 Delta_et -0.3350506E-02 Pxc 0.4293606E+01 Qxc -0.1636086E+01 3,+1 140 3 -1 1.758660 0.804014 -1.611205 Rho 0.3239624E-01 |GRAD(Rho)| 0.5447385E-14 GRAD(Rho)x -0.3883341E-15 GRAD(Rho)y 0.5423450E-14 GRAD(Rho)z 0.3307347E-15 Laplacian 0.1316619E+00 (-1/4)Del**2(Rho)) -0.3291547E-01 Diamond 0.3722807E-01 Metallicity 0.1723101E+01 Ellipticity 0.4211400E-01 Gb(Abramov) 0.3139643E-01 Vb(Abramov) -0.2987738E-01 Hb(Abramov) 0.1519043E-02 Ex_ueg -0.7627423E-02 Ec_ueg -0.1467858E-02 Delta_ex -0.9750463E-02 Delta_ec 0.3965953E-02 Delta_et -0.3720974E-01 Pxc 0.5196297E+01 Qxc -0.2458542E+01 3,-1 141 3 -1 1.711394 -0.960942 1.577166 Rho 0.4527268E-01 |GRAD(Rho)| 0.7476203E-16 GRAD(Rho)x -0.6771245E-16 GRAD(Rho)y -0.3104122E-16 GRAD(Rho)z -0.6389699E-17 Laplacian 0.1812489E+00 (-1/4)Del**2(Rho)) -0.4531222E-01 Diamond 0.8260398E-01 Metallicity 0.2186410E+01 Ellipticity 0.2852369E-01 Gb(Abramov) 0.4671999E-01 Vb(Abramov) -0.4812776E-01 Hb(Abramov) -0.1407772E-02 Ex_ueg -0.1191699E-01 Ec_ueg -0.2155281E-02 Delta_ex -0.1466648E-01 Delta_ec 0.5609006E-02 Delta_et -0.5766197E-01 Pxc 0.5529206E+01 Qxc -0.2614809E+01 3,-1 142 3 -1 2.014441 -1.540247 2.714511 Rho 0.1185074E+00 |GRAD(Rho)| 0.9076485E-16 GRAD(Rho)x 0.6207057E-17 GRAD(Rho)y -0.9020223E-16 GRAD(Rho)z -0.7955333E-17 Laplacian 0.4459055E+00 (-1/4)Del**2(Rho)) -0.1114764E+00 Diamond 0.6856349E+00 Metallicity 0.4418544E+01 Ellipticity 0.3411072E-01 Gb(Abramov) 0.1564115E+00 Vb(Abramov) -0.2013466E+00 Hb(Abramov) -0.4493509E-01 Ex_ueg -0.4299113E-01 Ec_ueg -0.6459203E-02 Delta_ex -0.4529837E-01 Delta_ec 0.1209137E-01 Delta_et -0.1552626E+00 Pxc 0.6655794E+01 Qxc -0.3746339E+01 3,-1 143 3 -1 1.711394 -0.960942 -1.577166 Rho 0.4527268E-01 |GRAD(Rho)| 0.1678563E-15 GRAD(Rho)x 0.1296738E-15 GRAD(Rho)y -0.1000401E-15 GRAD(Rho)z -0.3677552E-16 Laplacian 0.1812489E+00 (-1/4)Del**2(Rho)) -0.4531222E-01 Diamond 0.8260398E-01 Metallicity 0.2186410E+01 Ellipticity 0.2852369E-01 Gb(Abramov) 0.4671999E-01 Vb(Abramov) -0.4812776E-01 Hb(Abramov) -0.1407772E-02 Ex_ueg -0.1191699E-01 Ec_ueg -0.2155281E-02 Delta_ex -0.1466648E-01 Delta_ec 0.5609006E-02 Delta_et -0.5766197E-01 Pxc 0.5529206E+01 Qxc -0.2614809E+01 3,-1 144 3 +1 2.065718 0.024873 -2.854333 Rho 0.1135779E-01 |GRAD(Rho)| 0.1168213E-16 GRAD(Rho)x -0.5341270E-17 GRAD(Rho)y -0.7480618E-17 GRAD(Rho)z -0.7209950E-17 Laplacian 0.5281456E-01 (-1/4)Del**2(Rho)) -0.1320364E-01 Diamond 0.1619022E-02 Metallicity 0.7487716E+00 Ellipticity -0.1135874E+01 Gb(Abramov) 0.1045018E-01 Vb(Abramov) -0.7696717E-02 Hb(Abramov) 0.2753462E-02 Ex_ueg -0.1885574E-02 Ec_ueg -0.4300042E-03 Delta_ex -0.2451918E-02 Delta_ec 0.4947834E-03 Delta_et -0.3811090E-02 Pxc 0.4385013E+01 Qxc -0.4955539E+01 3,+1 145 3 -1 2.824113 1.739850 -0.895422 Rho 0.1281793E+00 |GRAD(Rho)| 0.1491748E-14 GRAD(Rho)x 0.6359523E-17 GRAD(Rho)y 0.4048521E-16 GRAD(Rho)z -0.1491185E-14 Laplacian 0.5285683E+00 (-1/4)Del**2(Rho)) -0.1321421E+00 Diamond 0.8755298E+00 Metallicity 0.4248237E+01 Ellipticity 0.1917764E-01 Gb(Abramov) 0.1816565E+00 Vb(Abramov) -0.2311710E+00 Hb(Abramov) -0.4951445E-01 Ex_ueg -0.4773194E-01 Ec_ueg -0.7061681E-02 Delta_ex -0.5449529E-01 Delta_ec 0.1368599E-01 Delta_et -0.1774330E+00 Pxc 0.6759288E+01 Qxc -0.3981829E+01 3,-1 146 3 -1 1.829840 2.366309 -1.577147 Rho 0.1152011E+00 |GRAD(Rho)| 0.2946264E-12 GRAD(Rho)x -0.2933200E-12 GRAD(Rho)y 0.1558013E-13 GRAD(Rho)z 0.2292067E-13 Laplacian 0.4858762E+00 (-1/4)Del**2(Rho)) -0.1214691E+00 Diamond 0.7090625E+00 Metallicity 0.3868258E+01 Ellipticity 0.5354920E-02 Gb(Abramov) 0.1592916E+00 Vb(Abramov) -0.1971142E+00 Hb(Abramov) -0.3782259E-01 Ex_ueg -0.4139940E-01 Ec_ueg -0.6254746E-02 Delta_ex -0.4884429E-01 Delta_ec 0.1293197E-01 Delta_et -0.1647103E+00 Pxc 0.6618878E+01 Qxc -0.3777020E+01 3,-1 147 3 -1 1.829840 2.366309 1.577147 Rho 0.1152011E+00 |GRAD(Rho)| 0.8982873E-12 GRAD(Rho)x -0.1267910E-12 GRAD(Rho)y -0.6940830E-12 GRAD(Rho)z 0.5559612E-12 Laplacian 0.4858762E+00 (-1/4)Del**2(Rho)) -0.1214691E+00 Diamond 0.7090625E+00 Metallicity 0.3868258E+01 Ellipticity 0.5354921E-02 Gb(Abramov) 0.1592916E+00 Vb(Abramov) -0.1971142E+00 Hb(Abramov) -0.3782259E-01 Ex_ueg -0.4139940E-01 Ec_ueg -0.6254746E-02 Delta_ex -0.4884429E-01 Delta_ec 0.1293197E-01 Delta_et -0.1647103E+00 Pxc 0.6618878E+01 Qxc -0.3777020E+01 3,-1 148 3 -1 2.824113 1.739850 0.895422 Rho 0.1281793E+00 |GRAD(Rho)| 0.1849199E-14 GRAD(Rho)x -0.8078323E-16 GRAD(Rho)y 0.4096521E-16 GRAD(Rho)z 0.1846979E-14 Laplacian 0.5285683E+00 (-1/4)Del**2(Rho)) -0.1321421E+00 Diamond 0.8755298E+00 Metallicity 0.4248237E+01 Ellipticity 0.1917764E-01 Gb(Abramov) 0.1816565E+00 Vb(Abramov) -0.2311710E+00 Hb(Abramov) -0.4951445E-01 Ex_ueg -0.4773194E-01 Ec_ueg -0.7061681E-02 Delta_ex -0.5449529E-01 Delta_ec 0.1368599E-01 Delta_et -0.1774330E+00 Pxc 0.6759288E+01 Qxc -0.3981829E+01 3,-1 149 3 +1 3.008263 0.085870 0.260215 Rho 0.5041569E-02 |GRAD(Rho)| 0.8448430E-15 GRAD(Rho)x 0.8443795E-16 GRAD(Rho)y 0.1129191E-15 GRAD(Rho)z 0.8329941E-15 Laplacian 0.2050761E-01 (-1/4)Del**2(Rho)) -0.5126901E-02 Diamond 0.4635916E-03 Metallicity 0.4980899E+00 Ellipticity -0.2474675E+01 Gb(Abramov) 0.3843544E-02 Vb(Abramov) -0.2560186E-02 Hb(Abramov) 0.1283357E-02 Ex_ueg -0.6384683E-03 Ec_ueg -0.1487021E-03 Delta_ex -0.1002881E-02 Delta_ec 0.6129758E-03 Delta_et -0.3350506E-02 Pxc 0.4293606E+01 Qxc -0.1636086E+01 3,+1 150 3 +3 2.325939 0.086339 -0.000000 Rho 0.4115088E-02 |GRAD(Rho)| 0.1011684E-15 GRAD(Rho)x -0.6992152E-16 GRAD(Rho)y -0.1309375E-16 GRAD(Rho)z -0.7193451E-16 Laplacian 0.1676353E-01 (-1/4)Del**2(Rho)) -0.4190882E-02 Diamond 0.1253956E-03 Metallicity 0.4343898E+00 Ellipticity -0.3264905E+00 Gb(Abramov) 0.3097334E-02 Vb(Abramov) -0.2003786E-02 Hb(Abramov) 0.1093548E-02 Ex_ueg -0.4870317E-03 Ec_ueg -0.1090325E-03 Delta_ex -0.5918577E-03 Delta_ec 0.1505810E-03 Delta_et -0.9263387E-03 Pxc 0.4466850E+01 Qxc -0.3930493E+01 3,+3 151 3 +3 1.963927 0.015545 -2.699831 Rho 0.1128259E-01 |GRAD(Rho)| 0.2485133E-13 GRAD(Rho)x 0.2219396E-13 GRAD(Rho)y 0.5334643E-15 GRAD(Rho)z 0.1116836E-13 Laplacian 0.5188045E-01 (-1/4)Del**2(Rho)) -0.1297011E-01 Diamond 0.1186066E-02 Metallicity 0.7538602E+00 Ellipticity -0.7873555E+00 Gb(Abramov) 0.1027635E-01 Vb(Abramov) -0.7582588E-02 Hb(Abramov) 0.2693762E-02 Ex_ueg -0.1868946E-02 Ec_ueg -0.4265530E-03 Delta_ex -0.2281870E-02 Delta_ec 0.2676730E-03 Delta_et -0.2298652E-02 Pxc 0.4381510E+01 Qxc -0.8524840E+01 3,+3 152 3 -1 3.000464 -0.802684 -2.003287 Rho 0.6869967E-01 |GRAD(Rho)| 0.1982568E-14 GRAD(Rho)x 0.1759944E-14 GRAD(Rho)y 0.8836383E-15 GRAD(Rho)z 0.2288181E-15 Laplacian 0.2769380E+00 (-1/4)Del**2(Rho)) -0.6923450E-01 Diamond 0.2167649E+00 Metallicity 0.2867401E+01 Ellipticity 0.7219188E-02 Gb(Abramov) 0.7924351E-01 Vb(Abramov) -0.8925252E-01 Hb(Abramov) -0.1000901E-01 Ex_ueg -0.2078059E-01 Ec_ueg -0.3472001E-02 Delta_ex -0.2473172E-01 Delta_ec 0.8258311E-02 Delta_et -0.9441916E-01 Pxc 0.5985193E+01 Qxc -0.2994768E+01 3,-1 153 3 -1 2.790544 -1.692043 -0.870231 Rho 0.1299481E+00 |GRAD(Rho)| 0.5806245E-13 GRAD(Rho)x 0.5069253E-13 GRAD(Rho)y -0.2779364E-13 GRAD(Rho)z -0.5387875E-14 Laplacian 0.5207831E+00 (-1/4)Del**2(Rho)) -0.1301958E+00 Diamond 0.8838487E+00 Metallicity 0.4411362E+01 Ellipticity 0.8793953E-02 Gb(Abramov) 0.1825206E+00 Vb(Abramov) -0.2348455E+00 Hb(Abramov) -0.5232486E-01 Ex_ueg -0.4861215E-01 Ec_ueg -0.7172543E-02 Delta_ex -0.5395396E-01 Delta_ec 0.1358848E-01 Delta_et -0.1768359E+00 Pxc 0.6777534E+01 Qxc -0.3970567E+01 3,-1 154 3 -1 2.790544 -1.692043 0.870231 Rho 0.1299481E+00 |GRAD(Rho)| 0.5969276E-13 GRAD(Rho)x 0.4956864E-13 GRAD(Rho)y -0.3058948E-13 GRAD(Rho)z 0.1305602E-13 Laplacian 0.5207831E+00 (-1/4)Del**2(Rho)) -0.1301958E+00 Diamond 0.8838487E+00 Metallicity 0.4411362E+01 Ellipticity 0.8793953E-02 Gb(Abramov) 0.1825206E+00 Vb(Abramov) -0.2348455E+00 Hb(Abramov) -0.5232486E-01 Ex_ueg -0.4861215E-01 Ec_ueg -0.7172543E-02 Delta_ex -0.5395396E-01 Delta_ec 0.1358848E-01 Delta_et -0.1768359E+00 Pxc 0.6777534E+01 Qxc -0.3970567E+01 3,-1 155 3 -1 3.000464 -0.802684 2.003287 Rho 0.6869967E-01 |GRAD(Rho)| 0.2881807E-14 GRAD(Rho)x 0.2164105E-14 GRAD(Rho)y 0.1902821E-14 GRAD(Rho)z 0.2708155E-16 Laplacian 0.2769380E+00 (-1/4)Del**2(Rho)) -0.6923450E-01 Diamond 0.2167649E+00 Metallicity 0.2867401E+01 Ellipticity 0.7219188E-02 Gb(Abramov) 0.7924351E-01 Vb(Abramov) -0.8925252E-01 Hb(Abramov) -0.1000901E-01 Ex_ueg -0.2078059E-01 Ec_ueg -0.3472001E-02 Delta_ex -0.2473172E-01 Delta_ec 0.8258311E-02 Delta_et -0.9441916E-01 Pxc 0.5985193E+01 Qxc -0.2994768E+01 3,-1 156 3 -1 3.004942 0.088812 -0.000000 Rho 0.5092877E-02 |GRAD(Rho)| 0.5699088E-15 GRAD(Rho)x 0.8740245E-16 GRAD(Rho)y -0.3711282E-15 GRAD(Rho)z 0.4235809E-15 Laplacian 0.2009009E-01 (-1/4)Del**2(Rho)) -0.5022522E-02 Diamond 0.5721739E-03 Metallicity 0.5170945E+00 Ellipticity 0.2308200E+01 Gb(Abramov) 0.3781201E-02 Vb(Abramov) -0.2539880E-02 Hb(Abramov) 0.1241321E-02 Ex_ueg -0.6471465E-03 Ec_ueg -0.1509118E-03 Delta_ex -0.1085715E-02 Delta_ec 0.7813427E-03 Delta_et -0.4206858E-02 Pxc 0.4288242E+01 Qxc -0.1389550E+01 3,-1 157 3 -1 3.215482 2.366161 -2.242893 Rho 0.2240317E+00 |GRAD(Rho)| 0.2264785E-14 GRAD(Rho)x 0.2115766E-14 GRAD(Rho)y -0.1754239E-15 GRAD(Rho)z -0.7886758E-15 Laplacian 0.8005021E+00 (-1/4)Del**2(Rho)) -0.2001255E+00 Diamond 0.2623965E+01 Metallicity 0.7113768E+01 Ellipticity 0.5285946E-02 Gb(Abramov) 0.3706914E+00 Vb(Abramov) -0.5412574E+00 Hb(Abramov) -0.1705659E+00 Ex_ueg -0.1004919E+00 Ec_ueg -0.1334226E-01 Delta_ex -0.9510452E-01 Delta_ec 0.1822931E-01 Delta_et -0.2525140E+00 Pxc 0.7531850E+01 Qxc -0.5217122E+01 3,-1 158 3 -1 3.215482 2.366161 2.242893 Rho 0.2240317E+00 |GRAD(Rho)| 0.1442398E-11 GRAD(Rho)x -0.9330839E-12 GRAD(Rho)y -0.9716330E-12 GRAD(Rho)z -0.5155549E-12 Laplacian 0.8005021E+00 (-1/4)Del**2(Rho)) -0.2001255E+00 Diamond 0.2623965E+01 Metallicity 0.7113768E+01 Ellipticity 0.5285946E-02 Gb(Abramov) 0.3706914E+00 Vb(Abramov) -0.5412574E+00 Hb(Abramov) -0.1705659E+00 Ex_ueg -0.1004919E+00 Ec_ueg -0.1334226E-01 Delta_ex -0.9510452E-01 Delta_ec 0.1822931E-01 Delta_et -0.2525140E+00 Pxc 0.7531850E+01 Qxc -0.5217122E+01 3,-1 159 3 -1 3.275510 -2.274505 2.213616 Rho 0.2175252E+00 |GRAD(Rho)| 0.2458338E-13 GRAD(Rho)x -0.1795217E-13 GRAD(Rho)y 0.1426208E-13 GRAD(Rho)z -0.8868774E-14 Laplacian 0.7983676E+00 (-1/4)Del**2(Rho)) -0.1995919E+00 Diamond 0.2514082E+01 Metallicity 0.6790885E+01 Ellipticity 0.1741312E-01 Gb(Abramov) 0.3589622E+00 Vb(Abramov) -0.5183325E+00 Hb(Abramov) -0.1593703E+00 Ex_ueg -0.9661946E-01 Ec_ueg -0.1289935E-01 Delta_ex -0.9406055E-01 Delta_ec 0.1820625E-01 Delta_et -0.2512612E+00 Pxc 0.7490258E+01 Qxc -0.5166387E+01 3,-1 160 3 -1 3.275510 -2.274505 -2.213616 Rho 0.2175252E+00 |GRAD(Rho)| 0.4053269E-15 GRAD(Rho)x 0.3955712E-15 GRAD(Rho)y 0.4859936E-16 GRAD(Rho)z -0.7383417E-16 Laplacian 0.7983676E+00 (-1/4)Del**2(Rho)) -0.1995919E+00 Diamond 0.2514082E+01 Metallicity 0.6790885E+01 Ellipticity 0.1741312E-01 Gb(Abramov) 0.3589622E+00 Vb(Abramov) -0.5183325E+00 Hb(Abramov) -0.1593703E+00 Ex_ueg -0.9661946E-01 Ec_ueg -0.1289935E-01 Delta_ex -0.9406055E-01 Delta_ec 0.1820625E-01 Delta_et -0.2512612E+00 Pxc 0.7490258E+01 Qxc -0.5166387E+01 3,-1 161 3 -1 -3.201343 2.214879 2.311977 Rho 0.2327800E+00 |GRAD(Rho)| 0.3350997E-15 GRAD(Rho)x 0.2209604E-15 GRAD(Rho)y -0.9475927E-16 GRAD(Rho)z -0.2334287E-15 Laplacian 0.8599951E+00 (-1/4)Del**2(Rho)) -0.2149988E+00 Diamond 0.2924060E+01 Metallicity 0.7058189E+01 Ellipticity 0.7933503E-02 Gb(Abramov) 0.3962495E+00 Vb(Abramov) -0.5775003E+00 Hb(Abramov) -0.1812507E+00 Ex_ueg -0.1057578E+00 Ec_ueg -0.1394144E-01 Delta_ex -0.1030379E+00 Delta_ec 0.1909320E-01 Delta_et -0.2638420E+00 Pxc 0.7585861E+01 Qxc -0.5396575E+01 3,-1 162 3 -1 -0.059825 -0.007343 4.477450 Rho 0.2248661E+00 |GRAD(Rho)| 0.2070503E-15 GRAD(Rho)x -0.1435213E-15 GRAD(Rho)y 0.6874943E-17 GRAD(Rho)z 0.1490778E-15 Laplacian 0.8292803E+00 (-1/4)Del**2(Rho)) -0.2073201E+00 Diamond 0.2712293E+01 Metallicity 0.6909582E+01 Ellipticity 0.1746557E-02 Gb(Abramov) 0.3769626E+00 Vb(Abramov) -0.5466050E+00 Hb(Abramov) -0.1696425E+00 Ex_ueg -0.1009912E+00 Ec_ueg -0.1339923E-01 Delta_ex -0.9851277E-01 Delta_ec 0.1867606E-01 Delta_et -0.2579980E+00 Pxc 0.7537094E+01 Qxc -0.5274817E+01 3,-1 163 3 -1 -0.059825 -0.007343 -4.477450 Rho 0.2248661E+00 |GRAD(Rho)| 0.1514837E-15 GRAD(Rho)x -0.1224064E-15 GRAD(Rho)y 0.1423862E-17 GRAD(Rho)z -0.8922984E-16 Laplacian 0.8292803E+00 (-1/4)Del**2(Rho)) -0.2073201E+00 Diamond 0.2712293E+01 Metallicity 0.6909582E+01 Ellipticity 0.1746557E-02 Gb(Abramov) 0.3769626E+00 Vb(Abramov) -0.5466050E+00 Hb(Abramov) -0.1696425E+00 Ex_ueg -0.1009912E+00 Ec_ueg -0.1339923E-01 Delta_ex -0.9851277E-01 Delta_ec 0.1867606E-01 Delta_et -0.2579980E+00 Pxc 0.7537094E+01 Qxc -0.5274817E+01 3,-1 164 3 -1 0.425043 -0.121270 -0.659242 Rho 0.1796052E+00 |GRAD(Rho)| 0.1165364E-13 GRAD(Rho)x -0.6935424E-14 GRAD(Rho)y -0.1479936E-15 GRAD(Rho)z 0.9364037E-14 Laplacian 0.4680339E+00 (-1/4)Del**2(Rho)) -0.1170085E+00 Diamond 0.1202306E+01 Metallicity 0.8417838E+01 Ellipticity 0.4526693E-02 Gb(Abramov) 0.2421654E+00 Vb(Abramov) -0.3673223E+00 Hb(Abramov) -0.1251569E+00 Ex_ueg -0.7484168E-01 Ec_ueg -0.1036490E-01 Delta_ex -0.5275956E-01 Delta_ec 0.1168753E-01 Delta_et -0.1600943E+00 Pxc 0.7220683E+01 Qxc -0.4514177E+01 3,-1 165 3 -1 0.425043 -0.121270 0.659242 Rho 0.1796052E+00 |GRAD(Rho)| 0.3028481E-12 GRAD(Rho)x -0.1824339E-12 GRAD(Rho)y 0.3372953E-14 GRAD(Rho)z -0.2417094E-12 Laplacian 0.4680339E+00 (-1/4)Del**2(Rho)) -0.1170085E+00 Diamond 0.1202306E+01 Metallicity 0.8417838E+01 Ellipticity 0.4526693E-02 Gb(Abramov) 0.2421654E+00 Vb(Abramov) -0.3673223E+00 Hb(Abramov) -0.1251569E+00 Ex_ueg -0.7484168E-01 Ec_ueg -0.1036490E-01 Delta_ex -0.5275956E-01 Delta_ec 0.1168753E-01 Delta_et -0.1600943E+00 Pxc 0.7220683E+01 Qxc -0.4514177E+01 3,-1 166 3 -1 0.523062 -0.058398 2.418292 Rho 0.4908091E-01 |GRAD(Rho)| 0.1188465E-15 GRAD(Rho)x 0.2020491E-16 GRAD(Rho)y -0.1995440E-16 GRAD(Rho)z 0.1154040E-15 Laplacian 0.2011218E+00 (-1/4)Del**2(Rho)) -0.5028045E-01 Diamond 0.1013035E+00 Metallicity 0.2254283E+01 Ellipticity 0.1196218E-01 Gb(Abramov) 0.5241136E-01 Vb(Abramov) -0.5454227E-01 Hb(Abramov) -0.2130911E-02 Ex_ueg -0.1327197E-01 Ec_ueg -0.2364134E-02 Delta_ex -0.1656117E-01 Delta_ec 0.6142435E-02 Delta_et -0.6449733E-01 Pxc 0.5613882E+01 Qxc -0.2696190E+01 3,-1 167 3 -1 0.090581 4.532613 0.000000 Rho 0.2340457E+00 |GRAD(Rho)| 0.2959126E-10 GRAD(Rho)x 0.5641144E-11 GRAD(Rho)y 0.2904858E-10 GRAD(Rho)z -0.4083385E-18 Laplacian 0.8567511E+00 (-1/4)Del**2(Rho)) -0.2141878E+00 Diamond 0.2939263E+01 Metallicity 0.7149238E+01 Ellipticity 0.1099202E-02 Gb(Abramov) 0.3980051E+00 Vb(Abramov) -0.5818224E+00 Hb(Abramov) -0.1838173E+00 Ex_ueg -0.1065253E+00 Ec_ueg -0.1402848E-01 Delta_ex -0.1028337E+00 Delta_ec 0.1906133E-01 Delta_et -0.2637604E+00 Pxc 0.7593500E+01 Qxc -0.5394889E+01 3,-1 168 3 -1 1.931669 -2.540590 -1.664445 Rho 0.2241008E+00 |GRAD(Rho)| 0.3111713E-15 GRAD(Rho)x 0.3094313E-15 GRAD(Rho)y 0.2341877E-16 GRAD(Rho)z 0.2305285E-16 Laplacian 0.8519487E+00 (-1/4)Del**2(Rho)) -0.2129872E+00 Diamond 0.2756180E+01 Metallicity 0.6687626E+01 Ellipticity 0.1288293E-01 Gb(Abramov) 0.3793878E+00 Vb(Abramov) -0.5457885E+00 Hb(Abramov) -0.1664007E+00 Ex_ueg -0.1005332E+00 Ec_ueg -0.1334697E-01 Delta_ex -0.1010063E+00 Delta_ec 0.1900910E-01 Delta_et -0.2617591E+00 Pxc 0.7532285E+01 Qxc -0.5313575E+01 3,-1 169 3 +1 1.738104 -2.792731 -0.000000 Rho 0.7106726E-02 |GRAD(Rho)| 0.1666614E-17 GRAD(Rho)x 0.4853374E-18 GRAD(Rho)y -0.1358859E-17 GRAD(Rho)z 0.8339979E-18 Laplacian 0.3231379E-01 (-1/4)Del**2(Rho)) -0.8078448E-02 Diamond 0.1023729E-02 Metallicity 0.5601976E+00 Ellipticity -0.1794975E+01 Gb(Abramov) 0.6139886E-02 Vb(Abramov) -0.4201325E-02 Hb(Abramov) 0.1938561E-02 Ex_ueg -0.1009124E-02 Ec_ueg -0.2386708E-03 Delta_ex -0.1614484E-02 Delta_ec 0.8247257E-03 Delta_et -0.5049460E-02 Pxc 0.4228100E+01 Qxc -0.1957601E+01 3,+1 170 3 -1 1.931669 -2.540590 1.664445 Rho 0.2241008E+00 |GRAD(Rho)| 0.9180646E-16 GRAD(Rho)x -0.8966352E-16 GRAD(Rho)y -0.1734723E-16 GRAD(Rho)z 0.9378349E-17 Laplacian 0.8519487E+00 (-1/4)Del**2(Rho)) -0.2129872E+00 Diamond 0.2756180E+01 Metallicity 0.6687626E+01 Ellipticity 0.1288293E-01 Gb(Abramov) 0.3793878E+00 Vb(Abramov) -0.5457885E+00 Hb(Abramov) -0.1664007E+00 Ex_ueg -0.1005332E+00 Ec_ueg -0.1334697E-01 Delta_ex -0.1010063E+00 Delta_ec 0.1900910E-01 Delta_et -0.2617591E+00 Pxc 0.7532285E+01 Qxc -0.5313575E+01 3,-1 171 3 -1 2.008138 1.546180 -2.714707 Rho 0.1295432E+00 |GRAD(Rho)| 0.2257000E-13 GRAD(Rho)x 0.1552791E-13 GRAD(Rho)y 0.5428627E-14 GRAD(Rho)z 0.1545377E-13 Laplacian 0.4990910E+00 (-1/4)Del**2(Rho)) -0.1247728E+00 Diamond 0.8440506E+00 Metallicity 0.4579216E+01 Ellipticity 0.4250629E-01 Gb(Abramov) 0.1784087E+00 Vb(Abramov) -0.2320447E+00 Hb(Abramov) -0.5363597E-01 Ex_ueg -0.4841031E-01 Ec_ueg -0.7147148E-02 Delta_ex -0.5166996E-01 Delta_ec 0.1303626E-01 Delta_et -0.1695717E+00 Pxc 0.6773375E+01 Qxc -0.3963558E+01 3,-1 172 3 -1 2.008138 1.546180 2.714707 Rho 0.1295432E+00 |GRAD(Rho)| 0.6824546E-15 GRAD(Rho)x -0.4724682E-15 GRAD(Rho)y 0.5510796E-16 GRAD(Rho)z 0.4893682E-15 Laplacian 0.4990910E+00 (-1/4)Del**2(Rho)) -0.1247728E+00 Diamond 0.8440506E+00 Metallicity 0.4579216E+01 Ellipticity 0.4250629E-01 Gb(Abramov) 0.1784087E+00 Vb(Abramov) -0.2320447E+00 Hb(Abramov) -0.5363597E-01 Ex_ueg -0.4841031E-01 Ec_ueg -0.7147148E-02 Delta_ex -0.5166996E-01 Delta_ec 0.1303626E-01 Delta_et -0.1695717E+00 Pxc 0.6773375E+01 Qxc -0.3963558E+01 3,-1 173 3 -1 3.050275 0.884097 -2.031180 Rho 0.1770550E+00 |GRAD(Rho)| 0.2945946E-15 GRAD(Rho)x 0.1077426E-15 GRAD(Rho)y 0.2735171E-15 GRAD(Rho)z 0.1912939E-16 Laplacian 0.6819560E+00 (-1/4)Del**2(Rho)) -0.1704890E+00 Diamond 0.1668447E+01 Metallicity 0.5641184E+01 Ellipticity 0.5747065E-01 Gb(Abramov) 0.2739527E+00 Vb(Abramov) -0.3774163E+00 Hb(Abramov) -0.1034637E+00 Ex_ueg -0.7342814E-01 Ec_ueg -0.1019737E-01 Delta_ex -0.7617212E-01 Delta_ec 0.1632896E-01 Delta_et -0.2211397E+00 Pxc 0.7200694E+01 Qxc -0.4664847E+01 3,-1 174 3 -1 3.050275 0.884097 2.031180 Rho 0.1770550E+00 |GRAD(Rho)| 0.3726085E-15 GRAD(Rho)x 0.2213128E-16 GRAD(Rho)y 0.3678156E-15 GRAD(Rho)z 0.5530786E-16 Laplacian 0.6819560E+00 (-1/4)Del**2(Rho)) -0.1704890E+00 Diamond 0.1668447E+01 Metallicity 0.5641184E+01 Ellipticity 0.5747065E-01 Gb(Abramov) 0.2739527E+00 Vb(Abramov) -0.3774163E+00 Hb(Abramov) -0.1034637E+00 Ex_ueg -0.7342814E-01 Ec_ueg -0.1019737E-01 Delta_ex -0.7617212E-01 Delta_ec 0.1632896E-01 Delta_et -0.2211397E+00 Pxc 0.7200694E+01 Qxc -0.4664847E+01 3,-1 175 3 -1 -3.201343 2.214879 -2.311977 Rho 0.2327800E+00 |GRAD(Rho)| 0.3287259E-14 GRAD(Rho)x 0.2567282E-14 GRAD(Rho)y -0.1066042E-14 GRAD(Rho)z 0.1754619E-14 Laplacian 0.8599952E+00 (-1/4)Del**2(Rho)) -0.2149988E+00 Diamond 0.2924061E+01 Metallicity 0.7058188E+01 Ellipticity 0.7933503E-02 Gb(Abramov) 0.3962495E+00 Vb(Abramov) -0.5775003E+00 Hb(Abramov) -0.1812507E+00 Ex_ueg -0.1057578E+00 Ec_ueg -0.1394144E-01 Delta_ex -0.1030379E+00 Delta_ec 0.1909320E-01 Delta_et -0.2638420E+00 Pxc 0.7585861E+01 Qxc -0.5396575E+01 3,-1 176 3 -1 -3.002294 2.056941 -0.796901 Rho 0.1368400E+00 |GRAD(Rho)| 0.2368111E-15 GRAD(Rho)x -0.2984944E-16 GRAD(Rho)y -0.4396101E-16 GRAD(Rho)z -0.2307724E-15 Laplacian 0.5352664E+00 (-1/4)Del**2(Rho)) -0.1338166E+00 Diamond 0.9745362E+00 Metallicity 0.4678050E+01 Ellipticity 0.3923012E-01 Gb(Abramov) 0.1935445E+00 Vb(Abramov) -0.2532725E+00 Hb(Abramov) -0.5972793E-01 Ex_ueg -0.5207977E-01 Ec_ueg -0.7606482E-02 Delta_ex -0.5624231E-01 Delta_ec 0.1395249E-01 Delta_et -0.1833736E+00 Pxc 0.6846762E+01 Qxc -0.4030987E+01 3,-1 177 3 -1 -3.002294 2.056941 0.796901 Rho 0.1368400E+00 |GRAD(Rho)| 0.1999599E-12 GRAD(Rho)x -0.6846635E-14 GRAD(Rho)y 0.1792929E-12 GRAD(Rho)z -0.8826743E-13 Laplacian 0.5352664E+00 (-1/4)Del**2(Rho)) -0.1338166E+00 Diamond 0.9745362E+00 Metallicity 0.4678050E+01 Ellipticity 0.3923012E-01 Gb(Abramov) 0.1935445E+00 Vb(Abramov) -0.2532725E+00 Hb(Abramov) -0.5972793E-01 Ex_ueg -0.5207977E-01 Ec_ueg -0.7606482E-02 Delta_ex -0.5624231E-01 Delta_ec 0.1395249E-01 Delta_et -0.1833736E+00 Pxc 0.6846762E+01 Qxc -0.4030987E+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 76 166 110 118 130 114 162 165 117 164 108 122 115 107 113 128 163 105 124 123 112 111 167 141 154 170 155 142 159 140 145 146 173 171 157 80 72 79 176 86 175 61 52 77 64 91 65 58 78 76 63 90 62 82 73 83 177 89 161 136 148 147 174 172 158 143 153 168 152 121 160 156 120 70 103 100 71 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 18 21 21 22 25 28 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 20 28 36 24 27 37 2.359257 1.949290 1.916142 1.970476 1.944528 1.741034 1.714868 1.694227 1.714868 1.730304 2.359257 1.916142 1.949290 1.944528 1.970476 1.741034 2.427282 1.908653 1.908653 1.938832 1.938832 1.752969 2.391616 1.949319 1.742939 2.220170 1.999076 1.754637 2.532067 1.952413 1.995367 1.836252 1.960218 1.743283 2.394563 1.825918 1.944304 1.960832 2.002711 1.754887 2.342165 2.196164 2.000025 1.962767 1.751136 1.753422 2.342165 2.196164 2.000025 1.962767 1.751136 1.753422 2.394563 1.825918 1.944304 1.960832 2.002711 1.754887 2.532067 1.952413 1.995367 1.836252 1.960218 1.743283 2.391616 1.949319 1.742939 2.220170 1.999076 1.754637 3.291861 3.004081 3.335793 3.215013 3.215013 3.335793 2.360942 1.949926 1.916739 1.971233 1.945252 1.741057 1.714901 1.694284 1.714901 1.730317 2.360948 1.916742 1.949925 1.945256 1.971234 1.741056 2.429036 1.909095 1.909096 1.939368 1.939368 1.752977 2.393599 1.949934 1.742996 2.220883 1.999854 1.754675 2.533609 1.953056 1.996150 1.836724 1.960903 1.743306 2.396119 1.826258 1.944694 1.961359 2.003278 1.754902 2.344645 2.196697 2.000709 1.963497 1.751191 1.753457 2.344646 2.196699 2.000709 1.963499 1.751192 1.753459 2.396121 1.826260 1.944695 1.961359 2.003277 1.754902 2.533609 1.953056 1.996149 1.836724 1.960902 1.743308 2.393603 1.949934 1.742994 2.220883 1.999854 1.754674 3.294149 3.012360 3.337789 3.221188 3.221188 3.337789 27 26 27 28 27 22 21 24 21 26 29 26 26 27 27 21 30 27 27 29 28 24 31 25 23 29 26 26 32 28 27 23 25 26 30 23 26 25 27 23 31 28 27 27 24 24 30 28 27 27 24 24 31 23 27 24 29 23 33 27 29 23 26 26 30 27 23 29 26 24 35 33 35 35 35 35 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 Mo As Mo W Mo Mo W Mo Mo W 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 2.2896 2.3925 2.2896 2.4545 2.1861 2.2549 2.4304 2.2075 2.2075 2.4304 2.2549 2.1861 -1.1122 -1.0226 -1.1122 -1.1130 -0.9143 -0.9513 -0.9143 -0.9198 -0.7020 -0.9391 -0.9235 -0.9331 -0.9331 -0.9235 -0.9391 -0.7020 -0.8874 -0.9485 -0.8874 -0.9904 -0.9193 -0.9308 -0.9924 -0.7374 -0.7374 -0.9924 -0.9308 -0.9193 -0.7469 -0.7807 -0.7469 -0.8415 -0.7807 -0.7638 -0.8436 -0.7719 -0.7719 -0.8436 -0.7638 1.9349 0.8405 1.9349 2.0888 1.9736 1.9503 2.0927 1.9922 1.9922 2.0927 1.9503 1.9736 1.9402 1.9490 1.9402 1.9321 1.9433 1.9398 1.9433 1.9363 1.9785 1.9342 1.9389 1.9343 1.9343 1.9389 1.9342 1.9785 1.9539 1.9428 1.9539 1.9388 1.9433 1.9450 1.9385 1.9676 1.9676 1.9385 1.9450 1.9433 1.9699 1.9652 1.9699 1.9571 1.9652 1.9686 1.9571 1.9647 1.9647 1.9571 1.9686 6.1024 1.2151 6.1024 6.0866 6.1223 6.1085 6.0929 6.1065 6.1065 6.0929 6.1085 6.1223 5.1357 5.0381 5.1357 5.1448 4.9417 4.9862 4.9417 4.9587 4.6907 4.9778 4.9601 4.9712 4.9712 4.9601 4.9778 4.6907 4.9068 4.9789 4.9068 5.0204 4.9497 4.9596 5.0243 4.7398 4.7398 5.0243 4.9596 4.9497 4.7455 4.7861 4.7455 4.8514 4.7861 4.7641 4.8538 4.7776 4.7776 4.8538 4.7641 3.6731 10.5519 3.6731 3.3404 3.7180 3.6863 3.3542 3.6938 3.6938 3.3542 3.6863 3.7180 0.0363 0.0356 0.0363 0.0362 0.0293 0.0253 0.0293 0.0248 0.0328 0.0271 0.0245 0.0276 0.0276 0.0245 0.0271 0.0328 0.0267 0.0268 0.0267 0.0312 0.0264 0.0262 0.0295 0.0300 0.0300 0.0295 0.0262 0.0264 0.0314 0.0294 0.0314 0.0330 0.0294 0.0312 0.0327 0.0296 0.0296 0.0327 0.0312 0.0000 0.0000 0.0000 14.0298 0.0000 0.0000 14.0297 0.0000 0.0000 14.0297 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 Mo As Mo W Mo Mo W Mo Mo W 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 3.173998 2.309042 3.173998 2.502805 3.135245 3.164308 2.492115 3.155901 3.155901 2.492115 3.164308 3.135245 -1.201931 -1.127098 -1.201931 -1.093795 -1.023255 -1.220068 -1.023255 -1.206773 -0.992280 -1.084279 -1.199090 -1.090753 -1.090753 -1.199090 -1.084279 -0.992280 -1.154971 -1.195060 -1.154971 -0.980123 -1.185630 -1.184357 -0.986143 -1.012204 -1.012204 -0.986143 -1.184357 -1.185630 -1.020348 -1.058939 -1.020348 -0.887581 -1.058939 -1.040208 -0.890297 -1.047555 -1.047555 -0.890297 -1.040208 2.368037 1.717201 2.368037 1.936063 2.352395 2.361073 1.928485 2.356986 2.356986 1.928485 2.361073 2.352395 -0.882553 -0.837675 -0.882553 -0.730469 -0.815140 -0.923299 -0.815140 -0.927401 -0.779327 -0.833623 -0.923010 -0.824699 -0.824699 -0.923010 -0.833623 -0.779327 -0.959082 -0.965259 -0.959082 -0.806556 -0.965075 -0.964725 -0.817151 -0.806936 -0.806936 -0.817151 -0.964725 -0.965075 -0.803956 -0.851328 -0.803956 -0.798436 -0.851328 -0.823492 -0.799155 -0.849809 -0.849809 -0.799155 -0.823492 2.464504 1.694200 2.464504 2.038351 2.424877 2.450702 2.032514 2.457147 2.457147 2.032514 2.450702 2.424877 -0.904377 -0.862960 -0.904377 -0.791359 -0.878391 -1.016153 -0.878391 -1.024160 -0.786888 -0.916840 -1.031483 -0.902104 -0.902104 -1.031483 -0.916840 -0.786888 -0.974569 -1.026045 -0.974569 -0.851125 -1.005261 -1.025159 -0.852020 -0.789952 -0.789952 -0.852020 -1.025159 -1.005261 -0.759600 -0.818385 -0.759600 -0.765017 -0.818385 -0.784791 -0.761909 -0.835881 -0.835881 -0.761909 -0.784791 2.34759441 -3.56774165 0.00000000 4.27082896 -23.21421518 2.32227552 -0.00000000 14.64455099 0.00000000 8.56966419 -329.8654 406.9048 -99.6198 -360.4170 -58.3745 -441.3718 Jun12-2024 09:17:29 Nodes: 1 Procs: 1 Jun12-2024 09:17:31 Nodes: 1 Procs: 1 0 Jun12-2024 09:17:33 Nodes: 1 Procs: 1 Jun12-2024 09:17:35 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 09:17:37 Nodes: 1 Procs: 1 Jun12-2024 09:17:39 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 09:17:41 Nodes: 1 Procs: 1 Jun12-2024 09:17:42 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun12-2024 09:17:47 Nodes: 1 Procs: 5 *** (NO TITLE) *** -7 -15.64682902 -16.03699333 -15.91357933 -16.12035469 -16.18880324 -16.20518785 -16.20916635 -16.21470380 -16.21627411 -16.21755999 -16.21851280 -16.21901080 -16.21951203 -16.21978781 -16.21990387 -16.21995091 -16.21998767 -16.22001970 -16.22007525 -16.22010478 -16.22011728 GEOMETRY CONVERGED