ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr22-2024 02:28:00 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.03 0.42 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Apr22-2024 02:28:00 Nodes: 1 Procs: 1 Apr22-2024 02:28:00 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr22-2024 02:28:00 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.60 0.03 0.67 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 2.000 0.000 0.000 0.000 0.000 -139.491 -10.820 3.478 40.665 286.501 -95.429 -4.086 1.767 16.978 215.955 10.038 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 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -139.4907 -95.4288 -10.8205 -4.0856 1.7668 3.4780 10.0377 16.9776 40.6653 215.9554 286.5008 1 Si -0.0000 4.0000 8.0000 0.0000 0.0000 Apr22-2024 02:28:00 Nodes: 1 Procs: 1 Apr22-2024 02:28:00 Nodes: 1 Procs: 1 0 Apr22-2024 02:28:00 Nodes: 1 Procs: 1 Apr22-2024 02:28:01 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr22-2024 02:28:02 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.35 0.02 1.41 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 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 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2741 82466.5953 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Apr22-2024 02:28:00 Nodes: 1 Procs: 1 Apr22-2024 02:28:00 Nodes: 1 Procs: 1 0 Apr22-2024 02:28:00 Nodes: 1 Procs: 1 Apr22-2024 02:28:01 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr22-2024 02:28:02 Nodes: 1 Procs: 1 Apr22-2024 02:28:03 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr22-2024 02:28:04 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.45 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 Apr22-2024 02:28:00 Nodes: 1 Procs: 1 Apr22-2024 02:28:00 Nodes: 1 Procs: 1 0 Apr22-2024 02:28:00 Nodes: 1 Procs: 1 Apr22-2024 02:28:01 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr22-2024 02:28:02 Nodes: 1 Procs: 1 Apr22-2024 02:28:03 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Apr22-2024 02:28:04 Nodes: 1 Procs: 1 Apr22-2024 02:28:04 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr22-2024 02:28:05 Hydrogen (TZP) kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 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 Apr22-2024 02:28:00 Nodes: 1 Procs: 1 Apr22-2024 02:28:00 Nodes: 1 Procs: 1 0 Apr22-2024 02:28:00 Nodes: 1 Procs: 1 Apr22-2024 02:28:01 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr22-2024 02:28:02 Nodes: 1 Procs: 1 Apr22-2024 02:28:03 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Apr22-2024 02:28:04 Nodes: 1 Procs: 1 Apr22-2024 02:28:04 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr22-2024 02:28:05 Nodes: 1 Procs: 1 Apr22-2024 02:28:06 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr22-2024 02:28:08 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2220.8408999999997 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019 Apr22-2024 02:28:06 1 1 Tungsten TZP 4d t21.O ADF 2019 Apr22-2024 02:28:04 1 1 Oxygen TZP 1s t21.Ta ADF 2019 Apr22-2024 02:28:03 1 1 Tantalum TZP 4d t21.Si ADF 2019 Apr22-2024 02:28:01 1 1 Silicon TZP 1s t21.H ADF 2019 Apr22-2024 02:28:00 1 1 Hydrogen TZP 1 1 -14.64306197 0.23026984 0.00100000 F 0.08294692 0.00066667 F 0.23026984 0.08294692 0.26621925 0.01000000 F 0.05180575 0.00666667 F Cartesian 2220.8408999999997 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230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -4.710 -4.667 -4.610 -4.576 -4.560 -4.476 -4.431 -4.357 -4.117 -4.076 -0.842 -0.801 -0.645 -0.594 -0.491 -0.434 -0.361 -0.255 -0.218 -0.155 A A A A A A A A A A A A A A A A A A A A 0.00000000061059 0.00038138910960 0.00027210038127 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 74 74 74 74 74 74 74 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 73 73 14 1 1 0.474296 -3.062961 -1.863223 -0.580244 3.184918 1.727051 -0.066667 -0.156333 -3.606071 2.451389 2.632887 -0.000358 -0.043872 -0.064249 3.519218 0.462625 -3.016353 1.884513 3.016561 -0.606648 -1.904688 -0.014705 0.065546 -5.375667 3.936452 3.605854 -0.085448 -0.312938 0.203833 5.258641 0.468776 -0.737343 -1.376788 -1.738461 -0.157750 0.155887 0.232291 1.627752 -0.003653 0.617301 -0.703924 1.338467 -1.281011 -3.026178 1.518577 0.001892 1.647033 -3.002810 -1.724743 -0.174335 2.851362 2.850976 1.269314 -1.334959 -2.278936 2.193515 -1.441852 3.315125 -0.935049 -0.032290 -2.240919 2.549772 1.745078 0.949265 -3.265473 0.006841 0.108679 1.794912 2.893673 -1.271512 -3.221868 -1.593075 2.922776 1.344281 1.293139 -1.803543 -0.386708 -3.300399 2.049740 -0.123096 -3.457616 -0.997765 4.399721 -2.862418 1.432460 3.532387 -1.430507 0.161509 -2.023813 3.568481 2.501709 -2.401080 -2.094540 -0.826243 4.092663 0.034560 2.431117 -2.465697 2.166376 0.711889 -4.660384 2.530047 1.963784 -0.037106 3.528314 0.275083 -2.121741 -3.558828 1.469037 3.597828 1.286800 0.904161 -4.681028 -2.473775 4.679321 -0.626005 -2.529633 -0.680523 4.548142 2.868750 4.670286 -0.660865 2.587262 2.973941 -0.610958 1.920001 -0.500611 3.100265 -1.698133 -0.075897 -0.008647 0.003490 -1.873192 -0.140116 1.160193 -2.208865 1.425985 -0.819990 1 3 -3 0.474296 -3.062961 -1.863223 Rho 0.4361415E+07 3,-3 2 3 -3 -0.580244 3.184918 1.727051 Rho 0.4361415E+07 3,-3 3 3 -3 -0.066667 -0.156333 -3.606071 Rho 0.4361415E+07 3,-3 4 3 -3 2.451389 2.632887 -0.000358 Rho 0.4361415E+07 3,-3 5 3 -3 -0.043872 -0.064249 3.519218 Rho 0.4361415E+07 3,-3 6 3 -3 0.462625 -3.016353 1.884513 Rho 0.4361415E+07 3,-3 7 3 -3 3.016561 -0.606648 -1.904688 Rho 0.4361415E+07 3,-3 8 3 -3 -0.014705 0.065546 -5.375667 Rho 0.3191216E+03 3,-3 9 3 -3 3.936452 3.605854 -0.085448 Rho 0.3191376E+03 3,-3 10 3 -3 -0.312938 0.203833 5.258641 Rho 0.3191355E+03 3,-3 11 3 -3 0.468776 -0.737343 -1.376788 Rho 0.3186909E+03 3,-3 12 3 -3 -1.738461 -0.157750 0.155887 Rho 0.3185903E+03 3,-3 13 3 -3 0.232291 1.627752 -0.003653 Rho 0.3186837E+03 3,-3 14 3 -3 0.617301 -0.703924 1.338467 Rho 0.3186696E+03 3,-3 15 3 -3 -1.281011 -3.026178 1.518577 Rho 0.3191991E+03 3,-3 16 3 -3 0.001892 1.647033 -3.002810 Rho 0.3188214E+03 3,-3 17 3 -3 -1.724743 -0.174335 2.851362 Rho 0.3191239E+03 3,-3 18 3 -3 2.850976 1.269314 -1.334959 Rho 0.3188593E+03 3,-3 19 3 -3 -2.278936 2.193515 -1.441852 Rho 0.3186291E+03 3,-3 20 3 -3 3.315125 -0.935049 -0.032290 Rho 0.3188437E+03 3,-3 21 3 -3 -2.240919 2.549772 1.745078 Rho 0.3191936E+03 3,-3 22 3 -3 0.949265 -3.265473 0.006841 Rho 0.3188189E+03 3,-3 23 3 -3 0.108679 1.794912 2.893673 Rho 0.3188294E+03 3,-3 24 3 -3 -1.271512 -3.221868 -1.593075 Rho 0.3191964E+03 3,-3 25 3 -3 2.922776 1.344281 1.293139 Rho 0.3188715E+03 3,-3 26 3 -3 -1.803543 -0.386708 -3.300399 Rho 0.3191829E+03 3,-3 27 3 -3 2.049740 -0.123096 -3.457616 Rho 0.3189406E+03 3,-3 28 3 -3 -0.997765 4.399721 -2.862418 Rho 0.3190549E+03 3,-3 29 3 -3 1.432460 3.532387 -1.430507 Rho 0.3188753E+03 3,-3 30 3 -3 0.161509 -2.023813 3.568481 Rho 0.3188777E+03 3,-3 31 3 -3 2.501709 -2.401080 -2.094540 Rho 0.3189535E+03 3,-3 32 3 -3 -0.826243 4.092663 0.034560 Rho 0.3188712E+03 3,-3 33 3 -3 2.431117 -2.465697 2.166376 Rho 0.3188851E+03 3,-3 34 3 -3 0.711889 -4.660384 2.530047 Rho 0.3191242E+03 3,-3 35 3 -3 1.963784 -0.037106 3.528314 Rho 0.3188794E+03 3,-3 36 3 -3 0.275083 -2.121741 -3.558828 Rho 0.3188790E+03 3,-3 37 3 -3 1.469037 3.597828 1.286800 Rho 0.3189503E+03 3,-3 38 3 -3 0.904161 -4.681028 -2.473775 Rho 0.3191301E+03 3,-3 39 3 -3 4.679321 -0.626005 -2.529633 Rho 0.3191353E+03 3,-3 40 3 -3 -0.680523 4.548142 2.868750 Rho 0.3191292E+03 3,-3 41 3 -3 4.670286 -0.660865 2.587262 Rho 0.3190281E+03 3,-3 42 3 -3 2.973941 -0.610958 1.920001 Rho 0.3882647E+07 3,-3 43 3 -3 -0.500611 3.100265 -1.698133 Rho 0.3882647E+07 3,-3 44 3 -3 -0.075897 -0.008647 0.003490 Rho 0.1943372E+04 3,-3 45 3 -3 -1.873192 -0.140116 1.160193 Rho 0.4249150E+00 3,-3 46 3 -3 -2.208865 1.425985 -0.819990 Rho 0.4520887E+00 3,-3 47 3 +1 1.421027 1.396642 -2.165734 Rho 0.5067522E-02 |GRAD(Rho)| 0.3214915E-17 GRAD(Rho)x -0.8040725E-18 GRAD(Rho)y -0.1964981E-17 GRAD(Rho)z -0.2414124E-17 Laplacian 0.2026518E-01 (-1/4)Del**2(Rho)) -0.5066294E-02 Diamond 0.5184852E-03 Metallicity 0.5083804E+00 Ellipticity -0.1396763E+02 Gb(Abramov) 0.3806797E-02 Vb(Abramov) -0.2547300E-02 Hb(Abramov) 0.1259497E-02 Ex_ueg -0.6428543E-03 Ec_ueg -0.1498197E-03 Delta_ex -0.1044200E-02 Delta_ec 0.6988780E-03 Delta_et -0.3786291E-02 Pxc 0.4290853E+01 Qxc -0.1494109E+01 3,+1 48 3 -1 -1.924377 1.191865 1.027712 Rho 0.6982263E-02 |GRAD(Rho)| 0.7886104E-15 GRAD(Rho)x 0.7770782E-15 GRAD(Rho)y 0.1216441E-15 GRAD(Rho)z -0.5708324E-16 Laplacian 0.2681548E-01 (-1/4)Del**2(Rho)) -0.6703870E-02 Diamond 0.1126711E-02 Metallicity 0.6554727E+00 Ellipticity 0.6060211E+00 Gb(Abramov) 0.5201614E-02 Vb(Abramov) -0.3699358E-02 Hb(Abramov) 0.1502256E-02 Ex_ueg -0.9856288E-03 Ec_ueg -0.2331903E-03 Delta_ex -0.1511462E-02 Delta_ec 0.1000063E-02 Delta_et -0.5942356E-02 Pxc 0.4226713E+01 Qxc -0.1511367E+01 3,-1 49 3 -1 -1.939167 1.193077 2.286761 Rho 0.8948389E-02 |GRAD(Rho)| 0.2320719E-16 GRAD(Rho)x 0.1288946E-16 GRAD(Rho)y 0.1927296E-16 GRAD(Rho)z 0.9942049E-18 Laplacian 0.3445311E-01 (-1/4)Del**2(Rho)) -0.8613277E-02 Diamond 0.2124531E-02 Metallicity 0.7714235E+00 Ellipticity 0.1230779E+00 Gb(Abramov) 0.6849599E-02 Vb(Abramov) -0.5085920E-02 Hb(Abramov) 0.1763678E-02 Ex_ueg -0.1372076E-02 Ec_ueg -0.3205948E-03 Delta_ex -0.2081856E-02 Delta_ec 0.1363185E-02 Delta_et -0.8708142E-02 Pxc 0.4279783E+01 Qxc -0.1527200E+01 3,-1 50 3 +1 -1.221509 1.310454 -0.510253 Rho 0.1141386E-01 |GRAD(Rho)| 0.2056930E-16 GRAD(Rho)x -0.1893288E-16 GRAD(Rho)y 0.5713237E-18 GRAD(Rho)z -0.8019708E-17 Laplacian 0.4559464E-01 (-1/4)Del**2(Rho)) -0.1139866E-01 Diamond 0.1869821E-02 Metallicity 0.8744880E+00 Ellipticity -0.1604028E+01 Gb(Abramov) 0.9260438E-02 Vb(Abramov) -0.7122217E-02 Hb(Abramov) 0.2138221E-02 Ex_ueg -0.1897996E-02 Ec_ueg -0.4325789E-03 Delta_ex -0.2262506E-02 Delta_ec 0.6823040E-03 Delta_et -0.4982376E-02 Pxc 0.4387629E+01 Qxc -0.3315979E+01 3,+1 51 3 +3 -1.662720 1.700879 0.322348 Rho 0.5209380E-02 |GRAD(Rho)| 0.1022267E-16 GRAD(Rho)x -0.5421011E-18 GRAD(Rho)y -0.8104411E-17 GRAD(Rho)z -0.6207057E-17 Laplacian 0.2011847E-01 (-1/4)Del**2(Rho)) -0.5029617E-02 Diamond 0.1979572E-03 Metallicity 0.5362020E+00 Ellipticity -0.3419283E+00 Gb(Abramov) 0.3802559E-02 Vb(Abramov) -0.2575502E-02 Hb(Abramov) 0.1227057E-02 Ex_ueg -0.6669601E-03 Ec_ueg -0.1559344E-03 Delta_ex -0.7464269E-03 Delta_ec 0.1660663E-03 Delta_et -0.1101149E-02 Pxc 0.4277184E+01 Qxc -0.4494753E+01 3,+3 52 3 +1 -1.492683 1.315580 2.405942 Rho 0.8010578E-02 |GRAD(Rho)| 0.1095264E-16 GRAD(Rho)x -0.2962392E-17 GRAD(Rho)y -0.9437285E-17 GRAD(Rho)z 0.4703415E-17 Laplacian 0.3581337E-01 (-1/4)Del**2(Rho)) -0.8953342E-02 Diamond 0.1112337E-02 Metallicity 0.6170794E+00 Ellipticity -0.1544372E+01 Gb(Abramov) 0.6889715E-02 Vb(Abramov) -0.4826088E-02 Hb(Abramov) 0.2063627E-02 Ex_ueg -0.1183778E-02 Ec_ueg -0.2786854E-03 Delta_ex -0.1727049E-02 Delta_ec 0.7182098E-03 Delta_et -0.4642228E-02 Pxc 0.4247721E+01 Qxc -0.2404658E+01 3,+1 53 3 -1 -2.025110 0.887047 -0.480320 Rho 0.2822815E-01 |GRAD(Rho)| 0.8039568E-16 GRAD(Rho)x -0.1284445E-16 GRAD(Rho)y 0.6993781E-16 GRAD(Rho)z -0.3751250E-16 Laplacian 0.8832257E-01 (-1/4)Del**2(Rho)) -0.2208064E-01 Diamond 0.3046568E-01 Metallicity 0.2041795E+01 Ellipticity 0.5808128E-01 Gb(Abramov) 0.2223445E-01 Vb(Abramov) -0.2238826E-01 Hb(Abramov) -0.1538095E-03 Ex_ueg -0.6347873E-02 Ec_ueg -0.1252580E-02 Delta_ex -0.7227820E-02 Delta_ec 0.4271180E-02 Delta_et -0.3843872E-01 Pxc 0.5067837E+01 Qxc -0.1692230E+01 3,-1 54 3 -1 -0.173265 2.369472 0.847116 Rho 0.4155395E-01 |GRAD(Rho)| 0.9974409E-14 GRAD(Rho)x -0.9565038E-14 GRAD(Rho)y -0.1992530E-14 GRAD(Rho)z 0.2007167E-14 Laplacian 0.1494043E+00 (-1/4)Del**2(Rho)) -0.3735107E-01 Diamond 0.5682899E-01 Metallicity 0.2299345E+01 Ellipticity 0.3100215E-01 Gb(Abramov) 0.3921454E-01 Vb(Abramov) -0.4107801E-01 Hb(Abramov) -0.1863474E-02 Ex_ueg -0.1063004E-01 Ec_ueg -0.1953623E-02 Delta_ex -0.1162790E-01 Delta_ec 0.4254314E-02 Delta_et -0.4268749E-01 Pxc 0.5441193E+01 Qxc -0.2733202E+01 3,-1 55 3 +1 -1.932859 0.991951 1.518344 Rho 0.6427686E-02 |GRAD(Rho)| 0.1076301E-16 GRAD(Rho)x -0.2513994E-17 GRAD(Rho)y 0.1044730E-16 GRAD(Rho)z -0.6132519E-18 Laplacian 0.2473343E-01 (-1/4)Del**2(Rho)) -0.6183358E-02 Diamond 0.6447163E-03 Metallicity 0.6190891E+00 Ellipticity -0.2005323E+01 Gb(Abramov) 0.4760247E-02 Vb(Abramov) -0.3337136E-02 Hb(Abramov) 0.1423111E-02 Ex_ueg -0.8826555E-03 Ec_ueg -0.2088600E-03 Delta_ex -0.1183045E-02 Delta_ec 0.5843625E-03 Delta_et -0.3497341E-02 Pxc 0.4226063E+01 Qxc -0.2024506E+01 3,+1 56 3 +1 -1.676718 1.023563 -2.455139 Rho 0.5968353E-02 |GRAD(Rho)| 0.1612213E-11 GRAD(Rho)x -0.1452054E-11 GRAD(Rho)y -0.5035972E-12 GRAD(Rho)z 0.4869931E-12 Laplacian 0.2406387E-01 (-1/4)Del**2(Rho)) -0.6015968E-02 Diamond 0.5967246E-03 Metallicity 0.5623480E+00 Ellipticity -0.1957014E+01 Gb(Abramov) 0.4574490E-02 Vb(Abramov) -0.3133012E-02 Hb(Abramov) 0.1441478E-02 Ex_ueg -0.7995723E-03 Ec_ueg -0.1888201E-03 Delta_ex -0.1153996E-02 Delta_ec 0.6067579E-03 Delta_et -0.3534402E-02 Pxc 0.4234572E+01 Qxc -0.1901906E+01 3,+1 57 3 -1 -1.429161 2.606971 -1.547404 Rho 0.1209714E+00 |GRAD(Rho)| 0.1041704E-13 GRAD(Rho)x -0.7319598E-14 GRAD(Rho)y 0.3494546E-14 GRAD(Rho)z 0.6536546E-14 Laplacian 0.4786580E+00 (-1/4)Del**2(Rho)) -0.1196645E+00 Diamond 0.7789489E+00 Metallicity 0.4259828E+01 Ellipticity 0.8597312E-01 Gb(Abramov) 0.1647347E+00 Vb(Abramov) -0.2098049E+00 Hb(Abramov) -0.4507020E-01 Ex_ueg -0.4418706E-01 Ec_ueg -0.6612077E-02 Delta_ex -0.4918950E-01 Delta_ec 0.1349835E-01 Delta_et -0.1749182E+00 Pxc 0.6682780E+01 Qxc -0.3644113E+01 3,-1 58 3 +3 -1.368237 0.410307 -1.629581 Rho 0.3108940E-02 |GRAD(Rho)| 0.5239990E-17 GRAD(Rho)x -0.2676624E-17 GRAD(Rho)y 0.2317482E-17 GRAD(Rho)z -0.3862960E-17 Laplacian 0.1218736E-01 (-1/4)Del**2(Rho)) -0.3046839E-02 Diamond 0.7271947E-04 Metallicity 0.3744474E+00 Ellipticity -0.7885809E+00 Gb(Abramov) 0.2221373E-02 Vb(Abramov) -0.1395907E-02 Hb(Abramov) 0.8254663E-03 Ex_ueg -0.3351209E-03 Ec_ueg -0.6646315E-04 Delta_ex -0.4191698E-03 Delta_ec 0.1417782E-03 Delta_et -0.7675476E-03 Pxc 0.5042206E+01 Qxc -0.2956519E+01 3,+3 59 3 +3 -1.055753 1.030212 1.520045 Rho 0.4493602E-02 |GRAD(Rho)| 0.1652710E-12 GRAD(Rho)x -0.9473731E-13 GRAD(Rho)y 0.5643254E-13 GRAD(Rho)z -0.1231045E-12 Laplacian 0.1801045E-01 (-1/4)Del**2(Rho)) -0.4502613E-02 Diamond 0.1323014E-03 Metallicity 0.4681800E+00 Ellipticity -0.4534079E+00 Gb(Abramov) 0.3353081E-02 Vb(Abramov) -0.2203549E-02 Hb(Abramov) 0.1149532E-02 Ex_ueg -0.5476601E-03 Ec_ueg -0.1251859E-03 Delta_ex -0.6294330E-03 Delta_ec 0.1245017E-03 Delta_et -0.8355979E-03 Pxc 0.4374774E+01 Qxc -0.5055619E+01 3,+3 60 3 +1 -1.428178 1.375096 0.832680 Rho 0.6148587E-02 |GRAD(Rho)| 0.7061877E-14 GRAD(Rho)x 0.2424656E-14 GRAD(Rho)y 0.5906993E-14 GRAD(Rho)z 0.3016386E-14 Laplacian 0.2360730E-01 (-1/4)Del**2(Rho)) -0.5901825E-02 Diamond 0.4706407E-03 Metallicity 0.6023641E+00 Ellipticity -0.1491136E+01 Gb(Abramov) 0.4527058E-02 Vb(Abramov) -0.3152291E-02 Hb(Abramov) 0.1374767E-02 Ex_ueg -0.8319275E-03 Ec_ueg -0.1966712E-03 Delta_ex -0.1041525E-02 Delta_ec 0.4206772E-03 Delta_et -0.2557434E-02 Pxc 0.4230043E+01 Qxc -0.2475828E+01 3,+1 61 3 -1 -1.406198 -1.568882 0.887784 Rho 0.6227297E-02 |GRAD(Rho)| 0.1777545E-14 GRAD(Rho)x 0.1677237E-14 GRAD(Rho)y 0.5719158E-15 GRAD(Rho)z 0.1394864E-15 Laplacian 0.2372510E-01 (-1/4)Del**2(Rho)) -0.5931274E-02 Diamond 0.8787791E-03 Metallicity 0.6122157E+00 Ellipticity 0.4121848E+00 Gb(Abramov) 0.4559386E-02 Vb(Abramov) -0.3187498E-02 Hb(Abramov) 0.1371888E-02 Ex_ueg -0.8461574E-03 Ec_ueg -0.2001048E-03 Delta_ex -0.1325341E-02 Delta_ec 0.9146636E-03 Delta_et -0.5239403E-02 Pxc 0.4228571E+01 Qxc -0.1448993E+01 3,-1 62 3 +1 -1.085770 -1.505253 0.926782 Rho 0.6047585E-02 |GRAD(Rho)| 0.1903393E-16 GRAD(Rho)x 0.1015243E-16 GRAD(Rho)y 0.1467654E-16 GRAD(Rho)z -0.6619510E-17 Laplacian 0.2379289E-01 (-1/4)Del**2(Rho)) -0.5948222E-02 Diamond 0.5727093E-03 Metallicity 0.5813923E+00 Ellipticity -0.1917345E+01 Gb(Abramov) 0.4541856E-02 Vb(Abramov) -0.3135491E-02 Hb(Abramov) 0.1406366E-02 Ex_ueg -0.8137562E-03 Ec_ueg -0.1922695E-03 Delta_ex -0.1124118E-02 Delta_ec 0.5640568E-03 Delta_et -0.3315960E-02 Pxc 0.4232373E+01 Qxc -0.1992917E+01 3,+1 63 3 +3 -1.260383 -1.315490 1.513679 Rho 0.5126890E-02 |GRAD(Rho)| 0.1130448E-14 GRAD(Rho)x 0.1095044E-14 GRAD(Rho)y 0.2656506E-15 GRAD(Rho)z -0.9066990E-16 Laplacian 0.2061787E-01 (-1/4)Del**2(Rho)) -0.5154466E-02 Diamond 0.2477341E-03 Metallicity 0.5094788E+00 Ellipticity -0.6243239E+00 Gb(Abramov) 0.3873993E-02 Vb(Abramov) -0.2593519E-02 Hb(Abramov) 0.1280474E-02 Ex_ueg -0.6529156E-03 Ec_ueg -0.1523775E-03 Delta_ex -0.8059682E-03 Delta_ec 0.2491139E-03 Delta_et -0.1524427E-02 Pxc 0.4284857E+01 Qxc -0.3235341E+01 3,+3 64 3 +3 0.569451 3.289752 -0.027592 Rho 0.1206516E-01 |GRAD(Rho)| 0.2155710E-16 GRAD(Rho)x 0.1276183E-16 GRAD(Rho)y -0.2561757E-17 GRAD(Rho)z -0.1718376E-16 Laplacian 0.5220409E-01 (-1/4)Del**2(Rho)) -0.1305102E-01 Diamond 0.1141291E-02 Metallicity 0.8377807E+00 Ellipticity -0.7403259E+00 Gb(Abramov) 0.1052300E-01 Vb(Abramov) -0.7994972E-02 Hb(Abramov) 0.2528025E-02 Ex_ueg -0.2043756E-02 Ec_ueg -0.4625778E-03 Delta_ex -0.2292549E-02 Delta_ec 0.1827275E-03 Delta_et -0.1751169E-02 Pxc 0.4418189E+01 Qxc -0.1254628E+02 3,+3 65 3 -1 -0.702630 3.654323 0.819547 Rho 0.1465415E+00 |GRAD(Rho)| 0.3058879E-15 GRAD(Rho)x 0.6549259E-17 GRAD(Rho)y 0.1296841E-15 GRAD(Rho)z 0.2769594E-15 Laplacian 0.5604423E+00 (-1/4)Del**2(Rho)) -0.1401106E+00 Diamond 0.1110538E+01 Metallicity 0.5008217E+01 Ellipticity 0.2372120E-01 Gb(Abramov) 0.2103577E+00 Vb(Abramov) -0.2806049E+00 Hb(Abramov) -0.7024716E-01 Ex_ueg -0.5706008E-01 Ec_ueg -0.8222486E-02 Delta_ex -0.5990614E-01 Delta_ec 0.1441548E-01 Delta_et -0.1915207E+00 Pxc 0.6939517E+01 Qxc -0.4155682E+01 3,-1 66 3 -1 -0.633459 3.919955 2.341655 Rho 0.2175399E+00 |GRAD(Rho)| 0.1290223E-11 GRAD(Rho)x 0.7287671E-13 GRAD(Rho)y -0.9833594E-12 GRAD(Rho)z -0.8320865E-12 Laplacian 0.8017371E+00 (-1/4)Del**2(Rho)) -0.2004343E+00 Diamond 0.2532692E+01 Metallicity 0.6763103E+01 Ellipticity 0.1404104E-01 Gb(Abramov) 0.3595491E+00 Vb(Abramov) -0.5186639E+00 Hb(Abramov) -0.1591148E+00 Ex_ueg -0.9662812E-01 Ec_ueg -0.1290034E-01 Delta_ex -0.9450647E-01 Delta_ec 0.1836719E-01 Delta_et -0.2538109E+00 Pxc 0.7490353E+01 Qxc -0.5145395E+01 3,-1 67 3 +1 0.161411 0.935851 1.542010 Rho 0.8693337E-02 |GRAD(Rho)| 0.1236519E-15 GRAD(Rho)x 0.1080036E-16 GRAD(Rho)y -0.5454365E-16 GRAD(Rho)z 0.1104452E-15 Laplacian 0.3453666E-01 (-1/4)Del**2(Rho)) -0.8634165E-02 Diamond 0.9143509E-03 Metallicity 0.7333484E+00 Ellipticity -0.1403071E+01 Gb(Abramov) 0.6811419E-02 Vb(Abramov) -0.4988672E-02 Hb(Abramov) 0.1822747E-02 Ex_ueg -0.1320182E-02 Ec_ueg -0.3091582E-03 Delta_ex -0.1571610E-02 Delta_ec 0.4672780E-03 Delta_et -0.3217848E-02 Pxc 0.4270247E+01 Qxc -0.3363330E+01 3,+1 68 3 +1 1.499304 -1.514792 -1.721537 Rho 0.2244417E-01 |GRAD(Rho)| 0.2375097E-14 GRAD(Rho)x 0.8400539E-15 GRAD(Rho)y 0.2205355E-14 GRAD(Rho)z 0.2679647E-15 Laplacian 0.8372653E-01 (-1/4)Del**2(Rho)) -0.2093163E-01 Diamond 0.9793575E-02 Metallicity 0.1469792E+01 Ellipticity -0.4763820E+01 Gb(Abramov) 0.1908195E-01 Vb(Abramov) -0.1723226E-01 Hb(Abramov) 0.1849687E-02 Ex_ueg -0.4675805E-02 Ec_ueg -0.9609133E-03 Delta_ex -0.5104298E-02 Delta_ec 0.1499863E-02 Delta_et -0.1286806E-01 Pxc 0.4866001E+01 Qxc -0.3403177E+01 3,+1 69 3 +1 0.083489 0.919948 -1.563056 Rho 0.8530468E-02 |GRAD(Rho)| 0.3376468E-17 GRAD(Rho)x -0.6877908E-18 GRAD(Rho)y -0.1604280E-17 GRAD(Rho)z -0.2890288E-17 Laplacian 0.3306577E-01 (-1/4)Del**2(Rho)) -0.8266443E-02 Diamond 0.8567787E-03 Metallicity 0.7422027E+00 Ellipticity -0.1428015E+01 Gb(Abramov) 0.6533525E-02 Vb(Abramov) -0.4800607E-02 Hb(Abramov) 0.1732918E-02 Ex_ueg -0.1287307E-02 Ec_ueg -0.3018701E-03 Delta_ex -0.1499107E-02 Delta_ec 0.4503517E-03 Delta_et -0.3083880E-02 Pxc 0.4264440E+01 Qxc -0.3328748E+01 3,+1 70 3 +3 1.102205 1.084251 -1.687894 Rho 0.4225416E-02 |GRAD(Rho)| 0.8242054E-14 GRAD(Rho)x -0.7343703E-14 GRAD(Rho)y -0.3378514E-14 GRAD(Rho)z -0.1608454E-14 Laplacian 0.1741334E-01 (-1/4)Del**2(Rho)) -0.4353334E-02 Diamond 0.1383879E-03 Metallicity 0.4370325E+00 Ellipticity -0.2703826E+00 Gb(Abramov) 0.3219314E-02 Vb(Abramov) -0.2085294E-02 Hb(Abramov) 0.1134020E-02 Ex_ueg -0.5045192E-03 Ec_ueg -0.1137331E-03 Delta_ex -0.6228716E-03 Delta_ec 0.1634182E-03 Delta_et -0.1001648E-02 Pxc 0.4435992E+01 Qxc -0.3811518E+01 3,+3 71 3 -1 -0.132744 2.315746 -0.832238 Rho 0.5146577E-01 |GRAD(Rho)| 0.7094490E-13 GRAD(Rho)x -0.4794902E-13 GRAD(Rho)y -0.4553895E-13 GRAD(Rho)z 0.2569580E-13 Laplacian 0.2099354E+00 (-1/4)Del**2(Rho)) -0.5248384E-01 Diamond 0.1160672E+00 Metallicity 0.2337357E+01 Ellipticity 0.1152274E-01 Gb(Abramov) 0.5543481E-01 Vb(Abramov) -0.5838577E-01 Hb(Abramov) -0.2950963E-02 Ex_ueg -0.1413871E-01 Ec_ueg -0.2496055E-02 Delta_ex -0.1762980E-01 Delta_ec 0.6652363E-02 Delta_et -0.7080123E-01 Pxc 0.5664421E+01 Qxc -0.2650156E+01 3,-1 72 3 +1 0.636859 2.634401 0.760575 Rho 0.2412020E-01 |GRAD(Rho)| 0.2999198E-11 GRAD(Rho)x 0.2669827E-11 GRAD(Rho)y 0.1366135E-11 GRAD(Rho)z 0.2973191E-13 Laplacian 0.8910093E-01 (-1/4)Del**2(Rho)) -0.2227523E-01 Diamond 0.9986378E-02 Metallicity 0.1557277E+01 Ellipticity -0.2752037E+01 Gb(Abramov) 0.2063161E-01 Vb(Abramov) -0.1898798E-01 Hb(Abramov) 0.1643625E-02 Ex_ueg -0.5147066E-02 Ec_ueg -0.1044521E-02 Delta_ex -0.5362851E-02 Delta_ec 0.1286957E-02 Delta_et -0.1131859E-01 Pxc 0.4927682E+01 Qxc -0.4167078E+01 3,+1 73 3 +1 1.531950 1.352683 2.194358 Rho 0.5475717E-02 |GRAD(Rho)| 0.2934222E-17 GRAD(Rho)x -0.2604400E-17 GRAD(Rho)y 0.1209341E-17 GRAD(Rho)z 0.6035360E-18 Laplacian 0.2190569E-01 (-1/4)Del**2(Rho)) -0.5476424E-02 Diamond 0.5439505E-03 Metallicity 0.5351282E+00 Ellipticity -0.2761276E+01 Gb(Abramov) 0.4139381E-02 Vb(Abramov) -0.2802337E-02 Hb(Abramov) 0.1337043E-02 Ex_ueg -0.7128088E-03 Ec_ueg -0.1674420E-03 Delta_ex -0.1081138E-02 Delta_ec 0.6408903E-03 Delta_et -0.3596340E-02 Pxc 0.4257050E+01 Qxc -0.1686931E+01 3,+1 74 3 +1 -0.853627 -0.273371 1.579810 Rho 0.1297642E-01 |GRAD(Rho)| 0.8167485E-17 GRAD(Rho)x 0.8138928E-17 GRAD(Rho)y -0.4563390E-18 GRAD(Rho)z -0.5073727E-18 Laplacian 0.5389635E-01 (-1/4)Del**2(Rho)) -0.1347409E-01 Diamond 0.2205165E-02 Metallicity 0.9161755E+00 Ellipticity -0.1390100E+01 Gb(Abramov) 0.1104016E-01 Vb(Abramov) -0.8606239E-02 Hb(Abramov) 0.2433925E-02 Ex_ueg -0.2252121E-02 Ec_ueg -0.5048296E-03 Delta_ex -0.2652785E-02 Delta_ec 0.6069790E-03 Delta_et -0.4706963E-02 Pxc 0.4461150E+01 Qxc -0.4370472E+01 3,+1 75 3 +1 0.627782 3.524650 -0.040369 Rho 0.1222461E-01 |GRAD(Rho)| 0.1818798E-12 GRAD(Rho)x 0.1649474E-12 GRAD(Rho)y -0.7644818E-13 GRAD(Rho)z 0.5321287E-14 Laplacian 0.5410679E-01 (-1/4)Del**2(Rho)) -0.1352670E-01 Diamond 0.1711531E-02 Metallicity 0.8262029E+00 Ellipticity -0.1147778E+01 Gb(Abramov) 0.1088043E-01 Vb(Abramov) -0.8234165E-02 Hb(Abramov) 0.2646266E-02 Ex_ueg -0.2079850E-02 Ec_ueg -0.4699479E-03 Delta_ex -0.2528185E-02 Delta_ec 0.4443972E-03 Delta_et -0.3543590E-02 Pxc 0.4425703E+01 Qxc -0.5689022E+01 3,+1 76 3 -1 0.497143 3.387733 1.487486 Rho 0.8895304E-01 |GRAD(Rho)| 0.2442791E-15 GRAD(Rho)x -0.2140486E-15 GRAD(Rho)y -0.9575115E-16 GRAD(Rho)z 0.6846313E-16 Laplacian 0.3554904E+00 (-1/4)Del**2(Rho)) -0.8887260E-01 Diamond 0.3794827E+00 Metallicity 0.3436001E+01 Ellipticity 0.1891881E-01 Gb(Abramov) 0.1101428E+00 Vb(Abramov) -0.1314130E+00 Hb(Abramov) -0.2127019E-01 Ex_ueg -0.2932690E-01 Ec_ueg -0.4660876E-02 Delta_ex -0.3363199E-01 Delta_ec 0.1001186E-01 Delta_et -0.1212560E+00 Pxc 0.6292143E+01 Qxc -0.3359217E+01 3,-1 77 3 +1 -1.760208 0.202396 -1.598664 Rho 0.3211473E-02 |GRAD(Rho)| 0.1345361E-16 GRAD(Rho)x 0.1308496E-16 GRAD(Rho)y 0.2805373E-17 GRAD(Rho)z 0.1383205E-17 Laplacian 0.1221713E-01 (-1/4)Del**2(Rho)) -0.3054283E-02 Diamond 0.1266677E-03 Metallicity 0.3942918E+00 Ellipticity -0.1424826E+01 Gb(Abramov) 0.2236902E-02 Vb(Abramov) -0.1419521E-02 Hb(Abramov) 0.8173812E-03 Ex_ueg -0.3499378E-03 Ec_ueg -0.7077630E-04 Delta_ex -0.5080729E-03 Delta_ec 0.2932288E-03 Delta_et -0.1431328E-02 Pxc 0.4944279E+01 Qxc -0.1732684E+01 3,+1 78 3 +3 1.629882 -1.608872 -0.063152 Rho 0.4195910E-02 |GRAD(Rho)| 0.7161171E-17 GRAD(Rho)x -0.6462287E-17 GRAD(Rho)y 0.3758362E-18 GRAD(Rho)z -0.3062674E-17 Laplacian 0.1730318E-01 (-1/4)Del**2(Rho)) -0.4325795E-02 Diamond 0.1335130E-03 Metallicity 0.4347078E+00 Ellipticity -0.2549586E+00 Gb(Abramov) 0.3197273E-02 Vb(Abramov) -0.2068751E-02 Hb(Abramov) 0.1128522E-02 Ex_ueg -0.4998272E-03 Ec_ueg -0.1124753E-03 Delta_ex -0.6146687E-03 Delta_ec 0.1567308E-03 Delta_et -0.9668125E-03 Pxc 0.4443883E+01 Qxc -0.3921812E+01 3,+3 79 3 +1 2.099505 -2.078523 0.136813 Rho 0.5089195E-02 |GRAD(Rho)| 0.1634178E-14 GRAD(Rho)x 0.2650925E-15 GRAD(Rho)y 0.8074931E-16 GRAD(Rho)z 0.1610510E-14 Laplacian 0.2016682E-01 (-1/4)Del**2(Rho)) -0.5041704E-02 Diamond 0.4958901E-03 Metallicity 0.5145067E+00 Ellipticity -0.5700282E+01 Gb(Abramov) 0.3793468E-02 Vb(Abramov) -0.2545232E-02 Hb(Abramov) 0.1248236E-02 Ex_ueg -0.6465228E-03 Ec_ueg -0.1507533E-03 Delta_ex -0.1019061E-02 Delta_ec 0.6581692E-03 Delta_et -0.3584105E-02 Pxc 0.4288616E+01 Qxc -0.1548326E+01 3,+1 80 3 +1 1.564672 -1.505035 1.740723 Rho 0.2565225E-01 |GRAD(Rho)| 0.2652117E-14 GRAD(Rho)x -0.1695864E-14 GRAD(Rho)y 0.1501986E-14 GRAD(Rho)z -0.1379061E-14 Laplacian 0.9553878E-01 (-1/4)Del**2(Rho)) -0.2388469E-01 Diamond 0.1308094E-01 Metallicity 0.1609321E+01 Ellipticity -0.5681696E+01 Gb(Abramov) 0.2232948E-01 Vb(Abramov) -0.2077428E-01 Hb(Abramov) 0.1555209E-02 Ex_ueg -0.5587519E-02 Ec_ueg -0.1121610E-02 Delta_ex -0.5997159E-02 Delta_ec 0.1646419E-02 Delta_et -0.1461952E-01 Pxc 0.4981696E+01 Qxc -0.3642548E+01 3,+1 81 3 +1 1.421943 -1.409154 2.858090 Rho 0.1204537E-01 |GRAD(Rho)| 0.4044563E-14 GRAD(Rho)x -0.1650171E-14 GRAD(Rho)y 0.1648772E-14 GRAD(Rho)z -0.3304085E-14 Laplacian 0.5189369E-01 (-1/4)Del**2(Rho)) -0.1297342E-01 Diamond 0.1458960E-02 Metallicity 0.8404888E+00 Ellipticity -0.1077313E+01 Gb(Abramov) 0.1046629E-01 Vb(Abramov) -0.7959147E-02 Hb(Abramov) 0.2507138E-02 Ex_ueg -0.2039287E-02 Ec_ueg -0.4616637E-03 Delta_ex -0.2371852E-02 Delta_ec 0.3495417E-03 Delta_et -0.2871913E-02 Pxc 0.4417257E+01 Qxc -0.6785607E+01 3,+1 82 3 +1 1.505293 -1.490843 -2.908638 Rho 0.1225684E-01 |GRAD(Rho)| 0.8508026E-16 GRAD(Rho)x 0.6901977E-16 GRAD(Rho)y -0.3839284E-16 GRAD(Rho)z 0.3163720E-16 Laplacian 0.5706022E-01 (-1/4)Del**2(Rho)) -0.1426505E-01 Diamond 0.2000966E-02 Metallicity 0.7868842E+00 Ellipticity -0.1192466E+01 Gb(Abramov) 0.1138086E-01 Vb(Abramov) -0.8496666E-02 Hb(Abramov) 0.2884194E-02 Ex_ueg -0.2087164E-02 Ec_ueg -0.4714388E-03 Delta_ex -0.2721363E-02 Delta_ec 0.5636661E-03 Delta_et -0.4382931E-02 Pxc 0.4427222E+01 Qxc -0.4827970E+01 3,+1 83 3 +3 1.342050 -1.360711 -2.641653 Rho 0.1182084E-01 |GRAD(Rho)| 0.1037417E-16 GRAD(Rho)x -0.8763170E-17 GRAD(Rho)y -0.5312426E-17 GRAD(Rho)z -0.1615035E-17 Laplacian 0.5367362E-01 (-1/4)Del**2(Rho)) -0.1341840E-01 Diamond 0.1133651E-02 Metallicity 0.7875288E+00 Ellipticity -0.5905219E+00 Gb(Abramov) 0.1070683E-01 Vb(Abramov) -0.7995261E-02 Hb(Abramov) 0.2711571E-02 Ex_ueg -0.1988763E-02 Ec_ueg -0.4513049E-03 Delta_ex -0.2340938E-02 Delta_ec 0.1844203E-03 Delta_et -0.1774550E-02 Pxc 0.4406695E+01 Qxc -0.1269349E+02 3,+3 84 3 +1 1.343404 -0.450728 -2.324022 Rho 0.2344490E-01 |GRAD(Rho)| 0.5551083E-15 GRAD(Rho)x -0.2914727E-15 GRAD(Rho)y 0.4686310E-15 GRAD(Rho)z -0.5978136E-16 Laplacian 0.8879118E-01 (-1/4)Del**2(Rho)) -0.2219780E-01 Diamond 0.1121828E-01 Metallicity 0.1490472E+01 Ellipticity -0.5710889E+01 Gb(Abramov) 0.2031273E-01 Vb(Abramov) -0.1842766E-01 Hb(Abramov) 0.1885066E-02 Ex_ueg -0.4955827E-02 Ec_ueg -0.1010740E-02 Delta_ex -0.5498148E-02 Delta_ec 0.1630878E-02 Delta_et -0.1413634E-01 Pxc 0.4903166E+01 Qxc -0.3371282E+01 3,+1 85 3 +3 1.373033 -1.367143 2.765186 Rho 0.1202916E-01 |GRAD(Rho)| 0.9516816E-14 GRAD(Rho)x -0.4154892E-14 GRAD(Rho)y 0.3628351E-14 GRAD(Rho)z -0.7755111E-14 Laplacian 0.5149300E-01 (-1/4)Del**2(Rho)) -0.1287325E-01 Diamond 0.1218272E-02 Metallicity 0.8451300E+00 Ellipticity -0.9006015E+00 Gb(Abramov) 0.1039543E-01 Vb(Abramov) -0.7917607E-02 Hb(Abramov) 0.2477822E-02 Ex_ueg -0.2035629E-02 Ec_ueg -0.4609151E-03 Delta_ex -0.2287333E-02 Delta_ec 0.2302466E-03 Delta_et -0.2063748E-02 Pxc 0.4416494E+01 Qxc -0.9934275E+01 3,+3 86 3 +1 -0.889563 -3.138404 -0.030134 Rho 0.6541402E-02 |GRAD(Rho)| 0.4729629E-17 GRAD(Rho)x -0.2981039E-18 GRAD(Rho)y -0.6611720E-18 GRAD(Rho)z 0.4673689E-17 Laplacian 0.2833118E-01 (-1/4)Del**2(Rho)) -0.7082795E-02 Diamond 0.8330101E-03 Metallicity 0.5565017E+00 Ellipticity -0.1988441E+01 Gb(Abramov) 0.5378795E-02 Vb(Abramov) -0.3674794E-02 Hb(Abramov) 0.1704000E-02 Ex_ueg -0.9035374E-03 Ec_ueg -0.2138370E-03 Delta_ex -0.1410197E-02 Delta_ec 0.7583700E-03 Delta_et -0.4515677E-02 Pxc 0.4225356E+01 Qxc -0.1859510E+01 3,+1 87 3 -1 1.534907 -2.700165 -1.978760 Rho 0.8675756E-01 |GRAD(Rho)| 0.2681361E-15 GRAD(Rho)x 0.2546588E-15 GRAD(Rho)y -0.6273973E-16 GRAD(Rho)z -0.5576399E-16 Laplacian 0.3481907E+00 (-1/4)Del**2(Rho)) -0.8704766E-01 Diamond 0.3602140E+00 Metallicity 0.3364922E+01 Ellipticity 0.2078707E-01 Gb(Abramov) 0.1068499E+00 Vb(Abramov) -0.1266521E+00 Hb(Abramov) -0.1980221E-01 Ex_ueg -0.2836579E-01 Ec_ueg -0.4530118E-02 Delta_ex -0.3274433E-01 Delta_ec 0.9843577E-02 Delta_et -0.1185747E+00 Pxc 0.6261600E+01 Qxc -0.3326467E+01 3,-1 88 3 -1 1.498023 -2.710407 2.026844 Rho 0.1071480E+00 |GRAD(Rho)| 0.4046055E-12 GRAD(Rho)x -0.3760719E-12 GRAD(Rho)y -0.1463126E-12 GRAD(Rho)z -0.2946353E-13 Laplacian 0.4296407E+00 (-1/4)Del**2(Rho)) -0.1074102E+00 Diamond 0.5716747E+00 Metallicity 0.3876870E+01 Ellipticity 0.1513400E-01 Gb(Abramov) 0.1410093E+00 Vb(Abramov) -0.1746085E+00 Hb(Abramov) -0.3359916E-01 Ex_ueg -0.3758638E-01 Ec_ueg -0.5760051E-02 Delta_ex -0.4241002E-01 Delta_ec 0.1154522E-01 Delta_et -0.1450046E+00 Pxc 0.6525356E+01 Qxc -0.3673382E+01 3,-1 89 3 -1 -1.194277 -3.134012 -0.034499 Rho 0.6729987E-02 |GRAD(Rho)| 0.2492400E-15 GRAD(Rho)x 0.2490904E-15 GRAD(Rho)y -0.3253266E-17 GRAD(Rho)z 0.7996690E-17 Laplacian 0.2594412E-01 (-1/4)Del**2(Rho)) -0.6486031E-02 Diamond 0.1134403E-02 Metallicity 0.6371836E+00 Ellipticity 0.6203880E+00 Gb(Abramov) 0.5012819E-02 Vb(Abramov) -0.3539608E-02 Hb(Abramov) 0.1473211E-02 Ex_ueg -0.9384347E-03 Ec_ueg -0.2221044E-03 Delta_ex -0.1512720E-02 Delta_ec 0.1075733E-02 Delta_et -0.6285722E-02 Pxc 0.4225196E+01 Qxc -0.1406222E+01 3,-1 90 3 -1 2.675559 -1.593192 2.046189 Rho 0.1408370E+00 |GRAD(Rho)| 0.3586593E-16 GRAD(Rho)x -0.9107298E-17 GRAD(Rho)y 0.1848565E-16 GRAD(Rho)z 0.2935477E-16 Laplacian 0.5633706E+00 (-1/4)Del**2(Rho)) -0.1408426E+00 Diamond 0.1082476E+01 Metallicity 0.4663160E+01 Ellipticity 0.3319073E-01 Gb(Abramov) 0.2033571E+00 Vb(Abramov) -0.2658715E+00 Hb(Abramov) -0.6251443E-01 Ex_ueg -0.5411788E-01 Ec_ueg -0.7859556E-02 Delta_ex -0.5983498E-01 Delta_ec 0.1498282E-01 Delta_et -0.1986215E+00 Pxc 0.6885616E+01 Qxc -0.3993573E+01 3,-1 91 3 -1 2.726994 -1.561294 -1.999908 Rho 0.1702634E+00 |GRAD(Rho)| 0.2643975E-13 GRAD(Rho)x 0.9691846E-14 GRAD(Rho)y 0.2457737E-13 GRAD(Rho)z 0.1039835E-14 Laplacian 0.6578634E+00 (-1/4)Del**2(Rho)) -0.1644659E+00 Diamond 0.1553965E+01 Metallicity 0.5478728E+01 Ellipticity 0.3711162E-01 Gb(Abramov) 0.2598212E+00 Vb(Abramov) -0.3551765E+00 Hb(Abramov) -0.9535534E-01 Ex_ueg -0.6969692E-01 Ec_ueg -0.9753047E-02 Delta_ex -0.7291656E-01 Delta_ec 0.1618954E-01 Delta_et -0.2191027E+00 Pxc 0.7146169E+01 Qxc -0.4503931E+01 3,-1 92 3 -1 3.250565 3.157640 -0.046387 Rho 0.2193388E+00 |GRAD(Rho)| 0.1384759E-10 GRAD(Rho)x 0.1224525E-10 GRAD(Rho)y 0.4680479E-12 GRAD(Rho)z -0.6449079E-11 Laplacian 0.8132199E+00 (-1/4)Del**2(Rho)) -0.2033050E+00 Diamond 0.2586647E+01 Metallicity 0.6759754E+01 Ellipticity 0.9694720E-03 Gb(Abramov) 0.3645853E+00 Vb(Abramov) -0.5258655E+00 Hb(Abramov) -0.1612803E+00 Ex_ueg -0.9769499E-01 Ec_ueg -0.1302257E-01 Delta_ex -0.9601657E-01 Delta_ec 0.1850234E-01 Delta_et -0.2554776E+00 Pxc 0.7501976E+01 Qxc -0.5189430E+01 3,-1 93 3 -1 -1.963144 0.913228 -2.389433 Rho 0.6145715E-02 |GRAD(Rho)| 0.5806432E-17 GRAD(Rho)x 0.1328148E-17 GRAD(Rho)y -0.4960225E-17 GRAD(Rho)z -0.2710505E-17 Laplacian 0.2247003E-01 (-1/4)Del**2(Rho)) -0.5617507E-02 Diamond 0.8430742E-03 Metallicity 0.6323588E+00 Ellipticity 0.5141296E+00 Gb(Abramov) 0.4337051E-02 Vb(Abramov) -0.3056596E-02 Hb(Abramov) 0.1280456E-02 Ex_ueg -0.8314094E-03 Ec_ueg -0.1965460E-03 Delta_ex -0.1270089E-02 Delta_ec 0.8982689E-03 Delta_et -0.5114576E-02 Pxc 0.4230102E+01 Qxc -0.1413930E+01 3,-1 94 3 +1 -2.021877 1.604404 0.377870 Rho 0.5442682E-02 |GRAD(Rho)| 0.3567220E-16 GRAD(Rho)x -0.8131516E-17 GRAD(Rho)y 0.3439631E-16 GRAD(Rho)z -0.4824700E-17 Laplacian 0.2005955E-01 (-1/4)Del**2(Rho)) -0.5014888E-02 Diamond 0.3411190E-03 Metallicity 0.5785137E+00 Ellipticity -0.1497166E+01 Gb(Abramov) 0.3826789E-02 Vb(Abramov) -0.2638690E-02 Hb(Abramov) 0.1188099E-02 Ex_ueg -0.7070808E-03 Ec_ueg -0.1660127E-03 Delta_ex -0.8619891E-03 Delta_ec 0.3604278E-03 Delta_et -0.2116422E-02 Pxc 0.4259197E+01 Qxc -0.2391572E+01 3,+1 95 3 +1 -1.947135 2.503867 0.136687 Rho 0.6799654E-02 |GRAD(Rho)| 0.1191270E-14 GRAD(Rho)x 0.8608701E-15 GRAD(Rho)y 0.8234244E-15 GRAD(Rho)z 0.3726945E-18 Laplacian 0.2691942E-01 (-1/4)Del**2(Rho)) -0.6729856E-02 Diamond 0.7772451E-03 Metallicity 0.6247297E+00 Ellipticity -0.2256912E+01 Gb(Abramov) 0.5187294E-02 Vb(Abramov) -0.3644732E-02 Hb(Abramov) 0.1542562E-02 Ex_ueg -0.9514095E-03 Ec_ueg -0.2251628E-03 Delta_ex -0.1316029E-02 Delta_ec 0.6581980E-03 Delta_et -0.3992184E-02 Pxc 0.4225429E+01 Qxc -0.1999442E+01 3,+1 96 3 -1 0.031441 0.917495 3.174749 Rho 0.1311811E+00 |GRAD(Rho)| 0.1984177E-15 GRAD(Rho)x -0.1805197E-16 GRAD(Rho)y 0.1497690E-15 GRAD(Rho)z 0.1288913E-15 Laplacian 0.5383004E+00 (-1/4)Del**2(Rho)) -0.1345751E+00 Diamond 0.9333276E+00 Metallicity 0.4335513E+01 Ellipticity 0.1383046E-01 Gb(Abramov) 0.1869588E+00 Vb(Abramov) -0.2393424E+00 Hb(Abramov) -0.5238366E-01 Ex_ueg -0.4922814E-01 Ec_ueg -0.7249950E-02 Delta_ex -0.5600722E-01 Delta_ec 0.1421204E-01 Delta_et -0.1856079E+00 Pxc 0.6790135E+01 Qxc -0.3940830E+01 3,-1 97 3 -1 1.913760 3.137971 0.683444 Rho 0.1666403E+00 |GRAD(Rho)| 0.2888258E-15 GRAD(Rho)x -0.5629720E-16 GRAD(Rho)y 0.1095044E-15 GRAD(Rho)z 0.2612656E-15 Laplacian 0.6496393E+00 (-1/4)Del**2(Rho)) -0.1624098E+00 Diamond 0.1492241E+01 Metallicity 0.5352717E+01 Ellipticity 0.4717935E-01 Gb(Abramov) 0.2531622E+00 Vb(Abramov) -0.3439146E+00 Hb(Abramov) -0.9075238E-01 Ex_ueg -0.6772648E-01 Ec_ueg -0.9517109E-02 Delta_ex -0.7159223E-01 Delta_ec 0.1602693E-01 Delta_et -0.2162186E+00 Pxc 0.7116287E+01 Qxc -0.4466997E+01 3,-1 98 3 -1 0.532735 -1.826838 1.584754 Rho 0.4989340E-01 |GRAD(Rho)| 0.3707950E-15 GRAD(Rho)x 0.1740968E-15 GRAD(Rho)y 0.3167531E-15 GRAD(Rho)z -0.8274517E-16 Laplacian 0.1884859E+00 (-1/4)Del**2(Rho)) -0.4712147E-01 Diamond 0.9360073E-01 Metallicity 0.2472138E+01 Ellipticity 0.1961499E-01 Gb(Abramov) 0.5082945E-01 Vb(Abramov) -0.5453742E-01 Hb(Abramov) -0.3707977E-02 Ex_ueg -0.1356571E-01 Ec_ueg -0.2408982E-02 Delta_ex -0.1543418E-01 Delta_ec 0.5487263E-02 Delta_et -0.5779339E-01 Pxc 0.5631303E+01 Qxc -0.2812727E+01 3,-1 99 3 +1 0.581963 -1.716556 -0.010558 Rho 0.8772846E-02 |GRAD(Rho)| 0.5198888E-12 GRAD(Rho)x 0.4763096E-12 GRAD(Rho)y 0.7411282E-13 GRAD(Rho)z 0.1947326E-12 Laplacian 0.3584722E-01 (-1/4)Del**2(Rho)) -0.8961805E-02 Diamond 0.9830976E-03 Metallicity 0.7173402E+00 Ellipticity -0.1402048E+01 Gb(Abramov) 0.7045980E-02 Vb(Abramov) -0.5130156E-02 Hb(Abramov) 0.1915824E-02 Ex_ueg -0.1336305E-02 Ec_ueg -0.3127203E-03 Delta_ex -0.1644779E-02 Delta_ec 0.5023946E-03 Delta_et -0.3453091E-02 Pxc 0.4273164E+01 Qxc -0.3273879E+01 3,+1 100 3 -1 0.707036 -3.933664 -2.192939 Rho 0.2167994E+00 |GRAD(Rho)| 0.6320377E-11 GRAD(Rho)x -0.1529006E-11 GRAD(Rho)y 0.5737085E-11 GRAD(Rho)z 0.2166832E-11 Laplacian 0.8093565E+00 (-1/4)Del**2(Rho)) -0.2023391E+00 Diamond 0.2539770E+01 Metallicity 0.6661469E+01 Ellipticity 0.1733896E-01 Gb(Abramov) 0.3595387E+00 Vb(Abramov) -0.5167383E+00 Hb(Abramov) -0.1571996E+00 Ex_ueg -0.9618982E-01 Ec_ueg -0.1285008E-01 Delta_ex -0.9528099E-01 Delta_ec 0.1848856E-01 Delta_et -0.2551602E+00 Pxc 0.7485540E+01 Qxc -0.5153511E+01 3,-1 101 3 -1 0.597731 -3.900943 2.232907 Rho 0.2158059E+00 |GRAD(Rho)| 0.1502466E-14 GRAD(Rho)x -0.4373401E-16 GRAD(Rho)y -0.1452885E-14 GRAD(Rho)z 0.3802839E-15 Laplacian 0.8062832E+00 (-1/4)Del**2(Rho)) -0.2015708E+00 Diamond 0.2516359E+01 Metallicity 0.6635868E+01 Ellipticity 0.2031115E-01 Gb(Abramov) 0.3573134E+00 Vb(Abramov) -0.5130560E+00 Hb(Abramov) -0.1557426E+00 Ex_ueg -0.9560254E-01 Ec_ueg -0.1278270E-01 Delta_ex -0.9480788E-01 Delta_ec 0.1844412E-01 Delta_et -0.2544814E+00 Pxc 0.7479057E+01 Qxc -0.5140276E+01 3,-1 102 3 -1 0.523122 3.320180 -1.548780 Rho 0.1232338E+00 |GRAD(Rho)| 0.1061868E-13 GRAD(Rho)x -0.6300705E-14 GRAD(Rho)y 0.5741064E-14 GRAD(Rho)z -0.6332279E-14 Laplacian 0.5014887E+00 (-1/4)Del**2(Rho)) -0.1253722E+00 Diamond 0.8228789E+00 Metallicity 0.4193423E+01 Ellipticity 0.2590699E-01 Gb(Abramov) 0.1712045E+00 Vb(Abramov) -0.2170369E+00 Hb(Abramov) -0.4583236E-01 Ex_ueg -0.4529236E-01 Ec_ueg -0.6752820E-02 Delta_ex -0.5161135E-01 Delta_ec 0.1381392E-01 Delta_et -0.1791757E+00 Pxc 0.6707178E+01 Qxc -0.3736183E+01 3,-1 103 3 +1 -0.327335 2.819473 -0.037570 Rho 0.2536659E-01 |GRAD(Rho)| 0.1505826E-16 GRAD(Rho)x -0.6981499E-17 GRAD(Rho)y -0.1137730E-16 GRAD(Rho)z 0.6968999E-17 Laplacian 0.9195491E-01 (-1/4)Del**2(Rho)) -0.2298873E-01 Diamond 0.1188408E-01 Metallicity 0.1641125E+01 Ellipticity -0.4670935E+01 Gb(Abramov) 0.2161372E-01 Vb(Abramov) -0.2023870E-01 Hb(Abramov) 0.1375012E-02 Ex_ueg -0.5504711E-02 Ec_ueg -0.1107189E-02 Delta_ex -0.5700265E-02 Delta_ec 0.1486984E-02 Delta_et -0.1318892E-01 Pxc 0.4971789E+01 Qxc -0.3833442E+01 3,+1 104 3 +1 1.671062 -0.660063 -0.077290 Rho 0.7200716E-02 |GRAD(Rho)| 0.2496970E-16 GRAD(Rho)x 0.2167516E-16 GRAD(Rho)y -0.1216211E-16 GRAD(Rho)z 0.2399263E-17 Laplacian 0.2680831E-01 (-1/4)Del**2(Rho)) -0.6702079E-02 Diamond 0.5712646E-03 Metallicity 0.6901918E+00 Ellipticity -0.1442019E+01 Gb(Abramov) 0.5239006E-02 Vb(Abramov) -0.3775933E-02 Hb(Abramov) 0.1463073E-02 Ex_ueg -0.1026958E-02 Ec_ueg -0.2428142E-03 Delta_ex -0.1175806E-02 Delta_ec 0.3852771E-03 Delta_et -0.2508305E-02 Pxc 0.4229398E+01 Qxc -0.3051845E+01 3,+1 105 3 -1 1.714327 -0.666861 -1.629644 Rho 0.3045335E-01 |GRAD(Rho)| 0.7019103E-16 GRAD(Rho)x -0.6688299E-16 GRAD(Rho)y -0.8512754E-17 GRAD(Rho)z 0.1951868E-16 Laplacian 0.1082686E+00 (-1/4)Del**2(Rho)) -0.2706715E-01 Diamond 0.2562641E-01 Metallicity 0.1890177E+01 Ellipticity 0.3273854E-01 Gb(Abramov) 0.2657172E-01 Vb(Abramov) -0.2607629E-01 Hb(Abramov) 0.4954306E-03 Ex_ueg -0.7023688E-02 Ec_ueg -0.1367015E-02 Delta_ex -0.7688404E-02 Delta_ec 0.2886946E-02 Delta_et -0.2664148E-01 Pxc 0.5137973E+01 Qxc -0.2663162E+01 3,-1 106 3 +3 1.822559 0.301648 -0.001422 Rho 0.4450640E-02 |GRAD(Rho)| 0.6092338E-15 GRAD(Rho)x -0.4128406E-15 GRAD(Rho)y 0.4050932E-15 GRAD(Rho)z -0.1913844E-15 Laplacian 0.1680837E-01 (-1/4)Del**2(Rho)) -0.4202093E-02 Diamond 0.1043429E-03 Metallicity 0.4936945E+00 Ellipticity -0.2635641E+00 Gb(Abramov) 0.3147154E-02 Vb(Abramov) -0.2092214E-02 Hb(Abramov) 0.1054939E-02 Ex_ueg -0.5406900E-03 Ec_ueg -0.1233488E-03 Delta_ex -0.5669276E-03 Delta_ec 0.8226104E-04 Delta_et -0.6141309E-03 Pxc 0.4383425E+01 Qxc -0.6891812E+01 3,+3 107 3 +1 1.463031 0.717374 0.837787 Rho 0.7498466E-02 |GRAD(Rho)| 0.2360516E-17 GRAD(Rho)x 0.5913349E-19 GRAD(Rho)y 0.2083549E-17 GRAD(Rho)z -0.1107865E-17 Laplacian 0.2895910E-01 (-1/4)Del**2(Rho)) -0.7239775E-02 Diamond 0.6423776E-03 Metallicity 0.6835687E+00 Ellipticity -0.1402558E+01 Gb(Abramov) 0.5651330E-02 Vb(Abramov) -0.4062886E-02 Hb(Abramov) 0.1588444E-02 Ex_ueg -0.1083964E-02 Ec_ueg -0.2559673E-03 Delta_ex -0.1277765E-02 Delta_ec 0.4068532E-03 Delta_et -0.2684652E-02 Pxc 0.4234776E+01 Qxc -0.3140604E+01 3,+1 108 3 -1 2.429342 -0.306193 2.765176 Rho 0.1282439E+00 |GRAD(Rho)| 0.1886630E-11 GRAD(Rho)x -0.1869238E-11 GRAD(Rho)y 0.8968833E-13 GRAD(Rho)z 0.2393286E-12 Laplacian 0.5176479E+00 (-1/4)Del**2(Rho)) -0.1294120E+00 Diamond 0.8916110E+00 Metallicity 0.4341500E+01 Ellipticity 0.2939403E-01 Gb(Abramov) 0.1799150E+00 Vb(Abramov) -0.2304180E+00 Hb(Abramov) -0.5050303E-01 Ex_ueg -0.4776399E-01 Ec_ueg -0.7065724E-02 Delta_ex -0.5378899E-01 Delta_ec 0.1413917E-01 Delta_et -0.1846935E+00 Pxc 0.6759958E+01 Qxc -0.3804253E+01 3,-1 109 3 +1 1.409959 0.645437 -0.868492 Rho 0.7587096E-02 |GRAD(Rho)| 0.1491140E-10 GRAD(Rho)x -0.7759009E-11 GRAD(Rho)y -0.1193536E-10 GRAD(Rho)z -0.4437867E-11 Laplacian 0.2879578E-01 (-1/4)Del**2(Rho)) -0.7198946E-02 Diamond 0.6649626E-03 Metallicity 0.7010412E+00 Ellipticity -0.1452065E+01 Gb(Abramov) 0.5640423E-02 Vb(Abramov) -0.4081901E-02 Hb(Abramov) 0.1558522E-02 Ex_ueg -0.1101081E-02 Ec_ueg -0.2598905E-03 Delta_ex -0.1282774E-02 Delta_ec 0.4196903E-03 Delta_et -0.2765057E-02 Pxc 0.4236711E+01 Qxc -0.3056477E+01 3,+1 110 3 -1 1.486637 1.576398 2.050819 Rho 0.5522381E-02 |GRAD(Rho)| 0.5935792E-16 GRAD(Rho)x 0.1581675E-16 GRAD(Rho)y 0.4176828E-16 GRAD(Rho)z -0.3909737E-16 Laplacian 0.2194009E-01 (-1/4)Del**2(Rho)) -0.5485023E-02 Diamond 0.6591347E-03 Metallicity 0.5418994E+00 Ellipticity 0.4022315E+01 Gb(Abramov) 0.4152070E-02 Vb(Abramov) -0.2819118E-02 Hb(Abramov) 0.1332952E-02 Ex_ueg -0.7209197E-03 Ec_ueg -0.1694618E-03 Delta_ex -0.1172580E-02 Delta_ec 0.7988327E-03 Delta_et -0.4426499E-02 Pxc 0.4254172E+01 Qxc -0.1467867E+01 3,-1 111 3 +1 3.006564 0.548022 -0.002237 Rho 0.1220349E-01 |GRAD(Rho)| 0.1089207E-14 GRAD(Rho)x -0.8664282E-15 GRAD(Rho)y 0.2360439E-15 GRAD(Rho)z 0.6164067E-15 Laplacian 0.5943359E-01 (-1/4)Del**2(Rho)) -0.1485840E-01 Diamond 0.2352012E-02 Metallicity 0.7499885E+00 Ellipticity -0.1253997E+01 Gb(Abramov) 0.1176287E-01 Vb(Abramov) -0.8667341E-02 Hb(Abramov) 0.3095528E-02 Ex_ueg -0.2075059E-02 Ec_ueg -0.4689709E-03 Delta_ex -0.2910381E-02 Delta_ec 0.7285310E-03 Delta_et -0.5517946E-02 Pxc 0.4424707E+01 Qxc -0.3994862E+01 3,+1 112 3 -1 -0.239567 2.322881 -2.381634 Rho 0.1136758E+00 |GRAD(Rho)| 0.3246085E-15 GRAD(Rho)x 0.9331254E-16 GRAD(Rho)y -0.2111619E-15 GRAD(Rho)z -0.2281975E-15 Laplacian 0.4925577E+00 (-1/4)Del**2(Rho)) -0.1231394E+00 Diamond 0.7423704E+00 Metallicity 0.3731951E+01 Ellipticity 0.7400524E-02 Gb(Abramov) 0.1586846E+00 Vb(Abramov) -0.1942299E+00 Hb(Abramov) -0.3554523E-01 Ex_ueg -0.4067013E-01 Ec_ueg -0.6160680E-02 Delta_ex -0.4986377E-01 Delta_ec 0.1405112E-01 Delta_et -0.1799214E+00 Pxc 0.6601565E+01 Qxc -0.3548738E+01 3,-1 113 3 -1 0.198569 -0.439386 -2.447478 Rho 0.5158614E-01 |GRAD(Rho)| 0.2918810E-13 GRAD(Rho)x -0.2757406E-13 GRAD(Rho)y 0.2212683E-14 GRAD(Rho)z -0.9312399E-14 Laplacian 0.1948724E+00 (-1/4)Del**2(Rho)) -0.4871809E-01 Diamond 0.1020583E+00 Metallicity 0.2527850E+01 Ellipticity 0.8890240E-02 Gb(Abramov) 0.5300407E-01 Vb(Abramov) -0.5729005E-01 Hb(Abramov) -0.4285975E-02 Ex_ueg -0.1418282E-01 Ec_ueg -0.2502736E-02 Delta_ex -0.1612535E-01 Delta_ec 0.5730345E-02 Delta_et -0.6089555E-01 Pxc 0.5666925E+01 Qxc -0.2814029E+01 3,-1 114 3 -1 0.145809 -0.309706 -0.568229 Rho 0.1391703E+00 |GRAD(Rho)| 0.3681325E-12 GRAD(Rho)x -0.1409747E-12 GRAD(Rho)y 0.1520350E-12 GRAD(Rho)z 0.3041925E-12 Laplacian 0.7280874E+00 (-1/4)Del**2(Rho)) -0.1820218E+00 Diamond 0.1619110E+01 Metallicity 0.3537318E+01 Ellipticity 0.1185670E-01 Gb(Abramov) 0.2286594E+00 Vb(Abramov) -0.2752970E+00 Hb(Abramov) -0.4663757E-01 Ex_ueg -0.5326565E-01 Ec_ueg -0.7753905E-02 Delta_ex -0.7974900E-01 Delta_ec 0.2413595E-01 Delta_et -0.3288024E+00 Pxc 0.6869526E+01 Qxc -0.3304158E+01 3,-1 115 3 -1 0.286035 -0.377859 2.385084 Rho 0.5193343E-01 |GRAD(Rho)| 0.3953756E-14 GRAD(Rho)x -0.8605795E-15 GRAD(Rho)y 0.3436579E-14 GRAD(Rho)z 0.1755423E-14 Laplacian 0.1970248E+00 (-1/4)Del**2(Rho)) -0.4925620E-01 Diamond 0.1025217E+00 Metallicity 0.2528351E+01 Ellipticity 0.3066025E-01 Gb(Abramov) 0.5359363E-01 Vb(Abramov) -0.5793105E-01 Hb(Abramov) -0.4337426E-02 Ex_ueg -0.1431027E-01 Ec_ueg -0.2522023E-02 Delta_ex -0.1626522E-01 Delta_ec 0.5675595E-02 Delta_et -0.6038061E-01 Pxc 0.5674124E+01 Qxc -0.2865818E+01 3,-1 116 3 -1 0.069948 -1.101770 3.528850 Rho 0.1337871E+00 |GRAD(Rho)| 0.2103072E-12 GRAD(Rho)x -0.2882753E-13 GRAD(Rho)y 0.2074915E-12 GRAD(Rho)z 0.1858332E-13 Laplacian 0.5178418E+00 (-1/4)Del**2(Rho)) -0.1294605E+00 Diamond 0.9197520E+00 Metallicity 0.4657005E+01 Ellipticity 0.4935242E-01 Gb(Abramov) 0.1867900E+00 Vb(Abramov) -0.2441195E+00 Hb(Abramov) -0.5732950E-01 Ex_ueg -0.5053639E-01 Ec_ueg -0.7413882E-02 Delta_ex -0.5413992E-01 Delta_ec 0.1361646E-01 Delta_et -0.1784105E+00 Pxc 0.6816455E+01 Qxc -0.3976065E+01 3,-1 117 3 -1 -0.030568 0.800586 -3.272784 Rho 0.1549994E+00 |GRAD(Rho)| 0.1474962E-15 GRAD(Rho)x -0.2700341E-17 GRAD(Rho)y -0.1450120E-15 GRAD(Rho)z 0.2682045E-16 Laplacian 0.6338075E+00 (-1/4)Del**2(Rho)) -0.1584519E+00 Diamond 0.1339623E+01 Metallicity 0.4862645E+01 Ellipticity 0.5710073E-02 Gb(Abramov) 0.2340505E+00 Vb(Abramov) -0.3096490E+00 Hb(Abramov) -0.7559858E-01 Ex_ueg -0.6149293E-01 Ec_ueg -0.8764313E-02 Delta_ex -0.6865150E-01 Delta_ec 0.1601181E-01 Delta_et -0.2142525E+00 Pxc 0.7016286E+01 Qxc -0.4287554E+01 3,-1 118 3 -1 -0.037237 -0.037976 -4.558886 Rho 0.2155603E+00 |GRAD(Rho)| 0.6888345E-13 GRAD(Rho)x 0.6029764E-13 GRAD(Rho)y 0.1052592E-13 GRAD(Rho)z -0.3159636E-13 Laplacian 0.8063053E+00 (-1/4)Del**2(Rho)) -0.2015763E+00 Diamond 0.2511447E+01 Metallicity 0.6623104E+01 Ellipticity 0.1567731E-01 Gb(Abramov) 0.3568944E+00 Vb(Abramov) -0.5122124E+00 Hb(Abramov) -0.1553180E+00 Ex_ueg -0.9545750E-01 Ec_ueg -0.1276605E-01 Delta_ex -0.9477321E-01 Delta_ec 0.1843370E-01 Delta_et -0.2542548E+00 Pxc 0.7477449E+01 Qxc -0.5141302E+01 3,-1 119 3 -1 0.118956 -1.193984 -3.563348 Rho 0.1257880E+00 |GRAD(Rho)| 0.4377590E-12 GRAD(Rho)x 0.6509429E-13 GRAD(Rho)y -0.4325497E-12 GRAD(Rho)z 0.1721558E-13 Laplacian 0.4880039E+00 (-1/4)Del**2(Rho)) -0.1220010E+00 Diamond 0.8076959E+00 Metallicity 0.4459181E+01 Ellipticity 0.3649574E-01 Gb(Abramov) 0.1720047E+00 Vb(Abramov) -0.2220085E+00 Hb(Abramov) -0.5000375E-01 Ex_ueg -0.4654831E-01 Ec_ueg -0.6912127E-02 Delta_ex -0.5030479E-01 Delta_ec 0.1308512E-01 Delta_et -0.1698332E+00 Pxc 0.6734296E+01 Qxc -0.3844428E+01 3,-1 120 3 -1 0.208671 -0.296614 0.555037 Rho 0.1376978E+00 |GRAD(Rho)| 0.5461202E-14 GRAD(Rho)x -0.1537622E-14 GRAD(Rho)y 0.2997487E-14 GRAD(Rho)z -0.4298316E-14 Laplacian 0.7202351E+00 (-1/4)Del**2(Rho)) -0.1800588E+00 Diamond 0.1581851E+01 Metallicity 0.3513044E+01 Ellipticity 0.9630561E-02 Gb(Abramov) 0.2254649E+00 Vb(Abramov) -0.2708711E+00 Hb(Abramov) -0.4540616E-01 Ex_ueg -0.5251551E-01 Ec_ueg -0.7660706E-02 Delta_ex -0.7870290E-01 Delta_ec 0.2394196E-01 Delta_et -0.3254841E+00 Pxc 0.6855178E+01 Qxc -0.3287237E+01 3,-1 121 3 -1 -0.188211 0.078945 4.455731 Rho 0.2174120E+00 |GRAD(Rho)| 0.8460349E-15 GRAD(Rho)x 0.1822950E-15 GRAD(Rho)y -0.1725237E-15 GRAD(Rho)z -0.8079475E-15 Laplacian 0.8187626E+00 (-1/4)Del**2(Rho)) -0.2046906E+00 Diamond 0.2570230E+01 Metallicity 0.6615985E+01 Ellipticity 0.1213358E-01 Gb(Abramov) 0.3621655E+00 Vb(Abramov) -0.5196403E+00 Hb(Abramov) -0.1574748E+00 Ex_ueg -0.9655242E-01 Ec_ueg -0.1289167E-01 Delta_ex -0.9641120E-01 Delta_ec 0.1860403E-01 Delta_et -0.2564712E+00 Pxc 0.7489523E+01 Qxc -0.5182276E+01 3,-1 122 3 +1 0.327306 -1.387691 -2.460049 Rho 0.2828581E-01 |GRAD(Rho)| 0.8707433E-16 GRAD(Rho)x 0.3589885E-17 GRAD(Rho)y 0.6251018E-16 GRAD(Rho)z 0.6051057E-16 Laplacian 0.1121041E+00 (-1/4)Del**2(Rho)) -0.2802602E-01 Diamond 0.1758679E-01 Metallicity 0.1614133E+01 Ellipticity -0.4885074E+01 Gb(Abramov) 0.2622364E-01 Vb(Abramov) -0.2442125E-01 Hb(Abramov) 0.1802385E-02 Ex_ueg -0.6365168E-02 Ec_ueg -0.1255531E-02 Delta_ex -0.7226031E-02 Delta_ec 0.1936297E-02 Delta_et -0.1760596E-01 Pxc 0.5069702E+01 Qxc -0.3731881E+01 3,+1 123 3 -1 1.317138 2.098140 -0.006148 Rho 0.4409994E-01 |GRAD(Rho)| 0.2643715E-12 GRAD(Rho)x 0.2394449E-12 GRAD(Rho)y 0.1120569E-12 GRAD(Rho)z 0.1292505E-14 Laplacian 0.1644694E+00 (-1/4)Del**2(Rho)) -0.4111735E-01 Diamond 0.6826849E-01 Metallicity 0.2306347E+01 Ellipticity 0.8285184E-02 Gb(Abramov) 0.4321671E-01 Vb(Abramov) -0.4531608E-01 Hb(Abramov) -0.2099364E-02 Ex_ueg -0.1150718E-01 Ec_ueg -0.2091434E-02 Delta_ex -0.1301545E-01 Delta_ec 0.4721087E-02 Delta_et -0.4812813E-01 Pxc 0.5502054E+01 Qxc -0.2756875E+01 3,-1 124 3 +1 1.458058 1.714846 1.965441 Rho 0.5509889E-02 |GRAD(Rho)| 0.1886659E-15 GRAD(Rho)x 0.3966871E-16 GRAD(Rho)y -0.1368579E-15 GRAD(Rho)z 0.1236574E-15 Laplacian 0.2241502E-01 (-1/4)Del**2(Rho)) -0.5603755E-02 Diamond 0.5932807E-03 Metallicity 0.5284194E+00 Ellipticity -0.3865604E+01 Gb(Abramov) 0.4229359E-02 Vb(Abramov) -0.2854963E-02 Hb(Abramov) 0.1374396E-02 Ex_ueg -0.7187461E-03 Ec_ueg -0.1689210E-03 Delta_ex -0.1133765E-02 Delta_ec 0.7024051E-03 Delta_et -0.3928785E-02 Pxc 0.4254925E+01 Qxc -0.1614118E+01 3,+1 125 3 +1 0.798161 2.565936 -0.718105 Rho 0.2602152E-01 |GRAD(Rho)| 0.5444862E-16 GRAD(Rho)x -0.2709084E-16 GRAD(Rho)y -0.4204797E-16 GRAD(Rho)z 0.2151061E-16 Laplacian 0.9594421E-01 (-1/4)Del**2(Rho)) -0.2398605E-01 Diamond 0.1316632E-01 Metallicity 0.1641152E+01 Ellipticity -0.5266668E+01 Gb(Abramov) 0.2255150E-01 Vb(Abramov) -0.2111694E-01 Hb(Abramov) 0.1434558E-02 Ex_ueg -0.5695020E-02 Ec_ueg -0.1140282E-02 Delta_ex -0.6021841E-02 Delta_ec 0.1610917E-02 Delta_et -0.1436288E-01 Pxc 0.4994394E+01 Qxc -0.3738145E+01 3,+1 126 3 +3 1.166683 1.128210 1.620021 Rho 0.4418390E-02 |GRAD(Rho)| 0.3188483E-16 GRAD(Rho)x -0.8115390E-17 GRAD(Rho)y -0.2985161E-16 GRAD(Rho)z -0.7724239E-17 Laplacian 0.1817012E-01 (-1/4)Del**2(Rho)) -0.4542530E-02 Diamond 0.1429762E-03 Metallicity 0.4511927E+00 Ellipticity -0.2809941E+00 Gb(Abramov) 0.3369946E-02 Vb(Abramov) -0.2197362E-02 Hb(Abramov) 0.1172584E-02 Ex_ueg -0.5354725E-03 Ec_ueg -0.1219703E-03 Delta_ex -0.6459095E-03 Delta_ec 0.1501074E-03 Delta_et -0.9580948E-03 Pxc 0.4390189E+01 Qxc -0.4302982E+01 3,+3 127 3 -1 2.655135 1.897377 -0.701009 Rho 0.1375859E+00 |GRAD(Rho)| 0.2961185E-15 GRAD(Rho)x -0.1327470E-16 GRAD(Rho)y -0.9788990E-16 GRAD(Rho)z 0.2791550E-15 Laplacian 0.5746147E+00 (-1/4)Del**2(Rho)) -0.1436537E+00 Diamond 0.1049440E+01 Metallicity 0.4397368E+01 Ellipticity 0.1378080E-01 Gb(Abramov) 0.2010521E+00 Vb(Abramov) -0.2584506E+00 Hb(Abramov) -0.5739845E-01 Ex_ueg -0.5245861E-01 Ec_ueg -0.7653630E-02 Delta_ex -0.6041632E-01 Delta_ec 0.1488683E-01 Delta_et -0.1956733E+00 Pxc 0.6854083E+01 Qxc -0.4058374E+01 3,-1 128 3 -1 2.694597 1.934958 0.683204 Rho 0.1627218E+00 |GRAD(Rho)| 0.7475268E-16 GRAD(Rho)x 0.7429495E-16 GRAD(Rho)y 0.6369688E-17 GRAD(Rho)z -0.5258381E-17 Laplacian 0.6670887E+00 (-1/4)Del**2(Rho)) -0.1667722E+00 Diamond 0.1485080E+01 Metallicity 0.5010017E+01 Ellipticity 0.1614266E-01 Gb(Abramov) 0.2504367E+00 Vb(Abramov) -0.3341012E+00 Hb(Abramov) -0.8366453E-01 Ex_ueg -0.6561143E-01 Ec_ueg -0.9262806E-02 Delta_ex -0.7304467E-01 Delta_ec 0.1649289E-01 Delta_et -0.2216913E+00 Pxc 0.7083320E+01 Qxc -0.4428858E+01 3,-1 129 3 -1 2.941876 0.419359 1.580897 Rho 0.1038154E+00 |GRAD(Rho)| 0.2624292E-15 GRAD(Rho)x -0.7512589E-16 GRAD(Rho)y -0.2506811E-15 GRAD(Rho)z 0.1960034E-16 Laplacian 0.4516970E+00 (-1/4)Del**2(Rho)) -0.1129243E+00 Diamond 0.6123540E+00 Metallicity 0.3498395E+01 Ellipticity 0.9455193E-02 Gb(Abramov) 0.1411251E+00 Vb(Abramov) -0.1693260E+00 Hb(Abramov) -0.2820085E-01 Ex_ueg -0.3603579E-01 Ec_ueg -0.5556749E-02 Delta_ex -0.4480612E-01 Delta_ec 0.1320658E-01 Delta_et -0.1661934E+00 Pxc 0.6485049E+01 Qxc -0.3392712E+01 3,-1 130 3 +1 -1.434634 -1.349682 1.513100 Rho 0.5152230E-02 |GRAD(Rho)| 0.2408219E-17 GRAD(Rho)x -0.1084361E-17 GRAD(Rho)y -0.2032244E-17 GRAD(Rho)z -0.7026138E-18 Laplacian 0.2009075E-01 (-1/4)Del**2(Rho)) -0.5022688E-02 Diamond 0.3125670E-03 Metallicity 0.5271599E+00 Ellipticity -0.1291097E+01 Gb(Abramov) 0.3789752E-02 Vb(Abramov) -0.2556816E-02 Hb(Abramov) 0.1232936E-02 Ex_ueg -0.6572219E-03 Ec_ueg -0.1534697E-03 Delta_ex -0.8483698E-03 Delta_ec 0.3535256E-03 Delta_et -0.2049767E-02 Pxc 0.4282420E+01 Qxc -0.2399741E+01 3,+1 131 3 -1 -0.466831 -3.145714 -1.718076 Rho 0.2209889E+00 |GRAD(Rho)| 0.2883119E-13 GRAD(Rho)x -0.1103479E-13 GRAD(Rho)y -0.1239736E-13 GRAD(Rho)z 0.2357491E-13 Laplacian 0.8632419E+00 (-1/4)Del**2(Rho)) -0.2158105E+00 Diamond 0.2736135E+01 Metallicity 0.6448097E+01 Ellipticity 0.8473451E-02 Gb(Abramov) 0.3758015E+00 Vb(Abramov) -0.5357925E+00 Hb(Abramov) -0.1599910E+00 Ex_ueg -0.9867621E-01 Ec_ueg -0.1313484E-01 Delta_ex -0.1019154E+00 Delta_ec 0.1923272E-01 Delta_et -0.2642294E+00 Pxc 0.7512554E+01 Qxc -0.5299060E+01 3,-1 132 3 -1 -0.476446 -3.017212 1.687641 Rho 0.2165961E+00 |GRAD(Rho)| 0.3135800E-15 GRAD(Rho)x -0.2339708E-15 GRAD(Rho)y -0.3323313E-16 GRAD(Rho)z 0.2061204E-15 Laplacian 0.8597947E+00 (-1/4)Del**2(Rho)) -0.2149487E+00 Diamond 0.2646854E+01 Metallicity 0.6260891E+01 Ellipticity 0.1065809E-01 Gb(Abramov) 0.3675941E+00 Vb(Abramov) -0.5202396E+00 Hb(Abramov) -0.1526455E+00 Ex_ueg -0.9606958E-01 Ec_ueg -0.1283629E-01 Delta_ex -0.1009004E+00 Delta_ec 0.1912126E-01 Delta_et -0.2618550E+00 Pxc 0.7484216E+01 Qxc -0.5276872E+01 3,-1 133 3 -1 1.044994 -0.143145 -3.512580 Rho 0.9209188E-01 |GRAD(Rho)| 0.1245812E-12 GRAD(Rho)x -0.1031015E-12 GRAD(Rho)y 0.6601374E-13 GRAD(Rho)z -0.2308126E-13 Laplacian 0.3679854E+00 (-1/4)Del**2(Rho)) -0.9199636E-01 Diamond 0.4108768E+00 Metallicity 0.3516830E+01 Ellipticity 0.1965860E-01 Gb(Abramov) 0.1152535E+00 Vb(Abramov) -0.1385107E+00 Hb(Abramov) -0.2325715E-01 Ex_ueg -0.3071474E-01 Ec_ueg -0.4848550E-02 Delta_ex -0.3511738E-01 Delta_ec 0.1032894E-01 Delta_et -0.1260480E+00 Pxc 0.6334830E+01 Qxc -0.3399902E+01 3,-1 134 3 -1 1.018824 -0.052369 3.506931 Rho 0.1230084E+00 |GRAD(Rho)| 0.5023120E-15 GRAD(Rho)x -0.5022160E-15 GRAD(Rho)y -0.3491470E-17 GRAD(Rho)z -0.9179508E-17 Laplacian 0.4846463E+00 (-1/4)Del**2(Rho)) -0.1211616E+00 Diamond 0.7646480E+00 Metallicity 0.4325932E+01 Ellipticity 0.1591547E-01 Gb(Abramov) 0.1681305E+00 Vb(Abramov) -0.2150994E+00 Hb(Abramov) -0.4696893E-01 Ex_ueg -0.4518194E-01 Ec_ueg -0.6738782E-02 Delta_ex -0.4948197E-01 Delta_ec 0.1268727E-01 Delta_et -0.1634043E+00 Pxc 0.6704763E+01 Qxc -0.3900127E+01 3,-1 135 3 -1 -1.001408 -0.283047 -3.438524 Rho 0.2183528E+00 |GRAD(Rho)| 0.3892635E-12 GRAD(Rho)x 0.3655800E-12 GRAD(Rho)y 0.8356719E-13 GRAD(Rho)z -0.1043739E-12 Laplacian 0.8526057E+00 (-1/4)Del**2(Rho)) -0.2131514E+00 Diamond 0.2663820E+01 Metallicity 0.6399259E+01 Ellipticity 0.8537518E-02 Gb(Abramov) 0.3694361E+00 Vb(Abramov) -0.5257209E+00 Hb(Abramov) -0.1562847E+00 Ex_ueg -0.9710990E-01 Ec_ueg -0.1295556E-01 Delta_ex -0.1003478E+00 Delta_ec 0.1906268E-01 Delta_et -0.2617396E+00 Pxc 0.7495617E+01 Qxc -0.5264098E+01 3,-1 136 3 -1 -0.942952 -0.124967 3.150772 Rho 0.2007006E+00 |GRAD(Rho)| 0.3128961E-13 GRAD(Rho)x -0.1631947E-13 GRAD(Rho)y 0.1973155E-13 GRAD(Rho)z -0.1798279E-13 Laplacian 0.7878960E+00 (-1/4)Del**2(Rho)) -0.1969740E+00 Diamond 0.2222398E+01 Metallicity 0.6017166E+01 Ellipticity 0.3625685E-01 Gb(Abramov) 0.3288535E+00 Vb(Abramov) -0.4607331E+00 Hb(Abramov) -0.1318795E+00 Ex_ueg -0.8678604E-01 Ec_ueg -0.1176491E-01 Delta_ex -0.9072588E-01 Delta_ec 0.1801531E-01 Delta_et -0.2459727E+00 Pxc 0.7376684E+01 Qxc -0.5036044E+01 3,-1 137 3 -1 -0.758747 -0.069817 0.073582 Rho 0.1339598E+00 |GRAD(Rho)| 0.5408772E-12 GRAD(Rho)x 0.5328049E-12 GRAD(Rho)y 0.6745854E-13 GRAD(Rho)z -0.6415966E-13 Laplacian 0.6560552E+00 (-1/4)Del**2(Rho)) -0.1640138E+00 Diamond 0.1398200E+01 Metallicity 0.3683807E+01 Ellipticity 0.7326448E-01 Gb(Abramov) 0.2100417E+00 Vb(Abramov) -0.2560697E+00 Hb(Abramov) -0.4602793E-01 Ex_ueg -0.5062336E-01 Ec_ueg -0.7424758E-02 Delta_ex -0.7128879E-01 Delta_ec 0.2202564E-01 Delta_et -0.2979040E+00 Pxc 0.6818184E+01 Qxc -0.3236627E+01 3,-1 138 3 +1 1.438311 -0.405652 2.317267 Rho 0.2580561E-01 |GRAD(Rho)| 0.1740754E-16 GRAD(Rho)x -0.1701845E-16 GRAD(Rho)y 0.3593929E-17 GRAD(Rho)z 0.6917852E-18 Laplacian 0.9537276E-01 (-1/4)Del**2(Rho)) -0.2384319E-01 Diamond 0.1210758E-01 Metallicity 0.1628217E+01 Ellipticity -0.3346654E+01 Gb(Abramov) 0.2236578E-01 Vb(Abramov) -0.2088836E-01 Hb(Abramov) 0.1477414E-02 Ex_ueg -0.5632103E-02 Ec_ueg -0.1129360E-02 Delta_ex -0.5886103E-02 Delta_ec 0.1446862E-02 Delta_et -0.1290681E-01 Pxc 0.4986985E+01 Qxc -0.4068186E+01 3,+1 139 3 +1 0.357075 -1.379511 2.409283 Rho 0.2747419E-01 |GRAD(Rho)| 0.3511503E-16 GRAD(Rho)x -0.2633462E-17 GRAD(Rho)y 0.2340511E-16 GRAD(Rho)z 0.2604480E-16 Laplacian 0.1044141E+00 (-1/4)Del**2(Rho)) -0.2610351E-01 Diamond 0.1500947E-01 Metallicity 0.1650932E+01 Ellipticity -0.4087254E+01 Gb(Abramov) 0.2458486E-01 Vb(Abramov) -0.2306621E-01 Hb(Abramov) 0.1518651E-02 Ex_ueg -0.6122823E-02 Ec_ueg -0.1214075E-02 Delta_ex -0.6608359E-02 Delta_ec 0.1679151E-02 Delta_et -0.1518055E-01 Pxc 0.5043200E+01 Qxc -0.3935536E+01 3,+1 140 3 -1 0.370618 -2.547408 -2.754225 Rho 0.1414228E+00 |GRAD(Rho)| 0.2767147E-13 GRAD(Rho)x -0.2627240E-13 GRAD(Rho)y -0.8101565E-15 GRAD(Rho)z -0.8649589E-14 Laplacian 0.5443887E+00 (-1/4)Del**2(Rho)) -0.1360972E+00 Diamond 0.1038254E+01 Metallicity 0.4859255E+01 Ellipticity 0.4442961E-01 Gb(Abramov) 0.2009533E+00 Vb(Abramov) -0.2658093E+00 Hb(Abramov) -0.6485608E-01 Ex_ueg -0.5441820E-01 Ec_ueg -0.7896729E-02 Delta_ex -0.5773725E-01 Delta_ec 0.1421389E-01 Delta_et -0.1880387E+00 Pxc 0.6891233E+01 Qxc -0.4062031E+01 3,-1 141 3 -1 0.464396 -1.866799 -1.590416 Rho 0.5040544E-01 |GRAD(Rho)| 0.1519927E-15 GRAD(Rho)x 0.1356907E-18 GRAD(Rho)y 0.1505830E-15 GRAD(Rho)z 0.2065257E-16 Laplacian 0.1889669E+00 (-1/4)Del**2(Rho)) -0.4724174E-01 Diamond 0.9569525E-01 Metallicity 0.2508166E+01 Ellipticity 0.8521460E-02 Gb(Abramov) 0.5124285E-01 Vb(Abramov) -0.5524396E-01 Hb(Abramov) -0.4001111E-02 Ex_ueg -0.1375165E-01 Ec_ueg -0.2437297E-02 Delta_ex -0.1553677E-01 Delta_ec 0.5542214E-02 Delta_et -0.5853921E-01 Pxc 0.5642173E+01 Qxc -0.2803351E+01 3,-1 142 3 -1 0.716842 -3.158608 -0.865668 Rho 0.1402730E+00 |GRAD(Rho)| 0.1203684E-13 GRAD(Rho)x 0.9461460E-14 GRAD(Rho)y 0.3733928E-14 GRAD(Rho)z -0.6436149E-14 Laplacian 0.5802539E+00 (-1/4)Del**2(Rho)) -0.1450635E+00 Diamond 0.1089883E+01 Metallicity 0.4497301E+01 Ellipticity 0.8733567E-02 Gb(Abramov) 0.2054413E+00 Vb(Abramov) -0.2658192E+00 Hb(Abramov) -0.6037785E-01 Ex_ueg -0.5382911E-01 Ec_ueg -0.7823783E-02 Delta_ex -0.6135403E-01 Delta_ec 0.1506415E-01 Delta_et -0.1987991E+00 Pxc 0.6880189E+01 Qxc -0.4072850E+01 3,-1 143 3 -1 0.712300 -3.137254 0.884608 Rho 0.1348369E+00 |GRAD(Rho)| 0.2206720E-15 GRAD(Rho)x 0.1308090E-15 GRAD(Rho)y -0.6947703E-16 GRAD(Rho)z -0.1635790E-15 Laplacian 0.5533944E+00 (-1/4)Del**2(Rho)) -0.1383486E+00 Diamond 0.9954927E+00 Metallicity 0.4414956E+01 Ellipticity 0.8360293E-02 Gb(Abramov) 0.1940329E+00 Vb(Abramov) -0.2497172E+00 Hb(Abramov) -0.5568429E-01 Ex_ueg -0.5106580E-01 Ec_ueg -0.7480042E-02 Delta_ex -0.5800449E-01 Delta_ec 0.1459212E-01 Delta_et -0.1915649E+00 Pxc 0.6826939E+01 Qxc -0.3975056E+01 3,-1 144 3 -1 0.305914 -2.475590 2.767013 Rho 0.1317977E+00 |GRAD(Rho)| 0.4090893E-13 GRAD(Rho)x -0.3901054E-13 GRAD(Rho)y 0.1577955E-14 GRAD(Rho)z 0.1221590E-13 Laplacian 0.5040589E+00 (-1/4)Del**2(Rho)) -0.1260147E+00 Diamond 0.8823934E+00 Metallicity 0.4666358E+01 Ellipticity 0.3944880E-01 Gb(Abramov) 0.1820148E+00 Vb(Abramov) -0.2380149E+00 Hb(Abramov) -0.5600006E-01 Ex_ueg -0.4953688E-01 Ec_ueg -0.7288694E-02 Delta_ex -0.5254530E-01 Delta_ec 0.1336702E-01 Delta_et -0.1748445E+00 Pxc 0.6796400E+01 Qxc -0.3930966E+01 3,-1 145 3 -1 3.912331 -0.617541 -2.242062 Rho 0.2201490E+00 |GRAD(Rho)| 0.3198772E-15 GRAD(Rho)x 0.4445229E-17 GRAD(Rho)y 0.2509767E-15 GRAD(Rho)z -0.1982735E-15 Laplacian 0.7988800E+00 (-1/4)Del**2(Rho)) -0.1997200E+00 Diamond 0.2562581E+01 Metallicity 0.6923505E+01 Ellipticity 0.1497567E-02 Gb(Abramov) 0.3636071E+00 Vb(Abramov) -0.5274941E+00 Hb(Abramov) -0.1638871E+00 Ex_ueg -0.9817643E-01 Ec_ueg -0.1307767E-01 Delta_ex -0.9447459E-01 Delta_ec 0.1826635E-01 Delta_et -0.2527039E+00 Pxc 0.7507179E+01 Qxc -0.5172056E+01 3,-1 146 3 -1 3.882443 -0.638293 2.278381 Rho 0.1943551E+00 |GRAD(Rho)| 0.2269369E-10 GRAD(Rho)x 0.2110913E-10 GRAD(Rho)y -0.6220798E-12 GRAD(Rho)z 0.8307912E-11 Laplacian 0.7446771E+00 (-1/4)Del**2(Rho)) -0.1861693E+00 Diamond 0.2053106E+01 Metallicity 0.6034462E+01 Ellipticity 0.1710180E-02 Gb(Abramov) 0.3113514E+00 Vb(Abramov) -0.4365336E+00 Hb(Abramov) -0.1251821E+00 Ex_ueg -0.8314697E-01 Ec_ueg -0.1134115E-01 Delta_ex -0.8527397E-01 Delta_ec 0.1758356E-01 Delta_et -0.2408729E+00 Pxc 0.7331439E+01 Qxc -0.4849642E+01 3,-1 147 3 -1 -2.224141 1.599980 -0.960263 Rho 0.3249073E+00 |GRAD(Rho)| 0.1280417E-14 GRAD(Rho)x -0.1261215E-14 GRAD(Rho)y 0.1279164E-15 GRAD(Rho)z 0.1801131E-15 Laplacian -0.1637072E+01 (-1/4)Del**2(Rho)) 0.4092679E+00 Diamond 0.5801951E+01 Metallicity -0.6463653E+01 Ellipticity 0.1029310E-02 Gb(Abramov) 0.1680490E+00 Vb(Abramov) -0.7453659E+00 Hb(Abramov) -0.5773169E+00 Ex_ueg -0.1649672E+00 Ec_ueg -0.2050655E-01 Delta_ex 0.1640892E+00 Delta_ec 0.5695862E-01 Delta_et -0.1361130E+01 Pxc 0.8044613E+01 Qxc 0.2880849E+01 3,-1 148 3 -1 -2.140029 2.332503 0.174877 Rho 0.6890736E-02 |GRAD(Rho)| 0.1856514E-16 GRAD(Rho)x 0.2300541E-17 GRAD(Rho)y 0.1626303E-17 GRAD(Rho)z 0.1835012E-16 Laplacian 0.2618201E-01 (-1/4)Del**2(Rho)) -0.6545504E-02 Diamond 0.1019934E-02 Metallicity 0.6567289E+00 Ellipticity 0.8377475E+00 Gb(Abramov) 0.5080106E-02 Vb(Abramov) -0.3614708E-02 Hb(Abramov) 0.1465398E-02 Ex_ueg -0.9684396E-03 Ec_ueg -0.2291648E-03 Delta_ex -0.1435233E-02 Delta_ec 0.9107121E-03 Delta_et -0.5411140E-02 Pxc 0.4225952E+01 Qxc -0.1575946E+01 3,-1 149 3 -1 -0.220609 2.434828 2.337159 Rho 0.1403889E+00 |GRAD(Rho)| 0.3727749E-09 GRAD(Rho)x 0.1299897E-09 GRAD(Rho)y -0.2713524E-09 GRAD(Rho)z 0.2200720E-09 Laplacian 0.5768886E+00 (-1/4)Del**2(Rho)) -0.1442221E+00 Diamond 0.1082496E+01 Metallicity 0.4529765E+01 Ellipticity 0.9201295E-02 Gb(Abramov) 0.2050302E+00 Vb(Abramov) -0.2658382E+00 Hb(Abramov) -0.6080803E-01 Ex_ueg -0.5388840E-01 Ec_ueg -0.7831131E-02 Delta_ex -0.6098715E-01 Delta_ec 0.1493217E-01 Delta_et -0.1969955E+00 Pxc 0.6881305E+01 Qxc -0.4084279E+01 3,-1 150 3 -1 -1.474546 2.841692 1.733762 Rho 0.2186302E+00 |GRAD(Rho)| 0.5502858E-15 GRAD(Rho)x 0.5177065E-15 GRAD(Rho)y 0.1843686E-15 GRAD(Rho)z 0.2832986E-16 Laplacian 0.8533171E+00 (-1/4)Del**2(Rho)) -0.2133293E+00 Diamond 0.2669242E+01 Metallicity 0.6407467E+01 Ellipticity 0.7628274E-02 Gb(Abramov) 0.3700362E+00 Vb(Abramov) -0.5267432E+00 Hb(Abramov) -0.1567070E+00 Ex_ueg -0.9727442E-01 Ec_ueg -0.1297440E-01 Delta_ex -0.1004593E+00 Delta_ec 0.1906224E-01 Delta_et -0.2617134E+00 Pxc 0.7497409E+01 Qxc -0.5270068E+01 3,-1 151 3 -1 -0.767321 3.797463 -2.321548 Rho 0.1988340E+00 |GRAD(Rho)| 0.5602027E-15 GRAD(Rho)x -0.9920450E-16 GRAD(Rho)y 0.4829036E-15 GRAD(Rho)z -0.2660632E-15 Laplacian 0.7728200E+00 (-1/4)Del**2(Rho)) -0.1932050E+00 Diamond 0.2178249E+01 Metallicity 0.6039752E+01 Ellipticity 0.3216370E-02 Gb(Abramov) 0.3232884E+00 Vb(Abramov) -0.4533718E+00 Hb(Abramov) -0.1300834E+00 Ex_ueg -0.8571152E-01 Ec_ueg -0.1164002E-01 Delta_ex -0.8893247E-01 Delta_ec 0.1799384E-01 Delta_et -0.2464863E+00 Pxc 0.7363518E+01 Qxc -0.4942384E+01 3,-1 152 3 -1 -0.669839 3.613935 -0.776413 Rho 0.1152362E+00 |GRAD(Rho)| 0.2267620E-15 GRAD(Rho)x 0.5870277E-16 GRAD(Rho)y -0.5005626E-16 GRAD(Rho)z -0.2132355E-15 Laplacian 0.4724914E+00 (-1/4)Del**2(Rho)) -0.1181228E+00 Diamond 0.7192829E+00 Metallicity 0.3979859E+01 Ellipticity 0.2696953E-01 Gb(Abramov) 0.1571006E+00 Vb(Abramov) -0.1960784E+00 Hb(Abramov) -0.3897777E-01 Ex_ueg -0.4141622E-01 Ec_ueg -0.6256912E-02 Delta_ex -0.4791984E-01 Delta_ec 0.1332052E-01 Delta_et -0.1708369E+00 Pxc 0.6619275E+01 Qxc -0.3597446E+01 3,-1 153 3 -1 0.052701 0.665871 -0.000786 Rho 0.1355171E+00 |GRAD(Rho)| 0.1952463E-15 GRAD(Rho)x -0.4773753E-16 GRAD(Rho)y -0.1892521E-15 GRAD(Rho)z 0.5086724E-17 Laplacian 0.6942847E+00 (-1/4)Del**2(Rho)) -0.1735712E+00 Diamond 0.1484345E+01 Metallicity 0.3548670E+01 Ellipticity 0.4296031E-02 Gb(Abramov) 0.2183719E+00 Vb(Abramov) -0.2631727E+00 Hb(Abramov) -0.4480076E-01 Ex_ueg -0.5140955E-01 Ec_ueg -0.7522948E-02 Delta_ex -0.7545914E-01 Delta_ec 0.2292456E-01 Delta_et -0.3102890E+00 Pxc 0.6833697E+01 Qxc -0.3291628E+01 3,-1 154 3 -1 1.899494 3.098238 -0.756184 Rho 0.1336740E+00 |GRAD(Rho)| 0.4464080E-15 GRAD(Rho)x 0.3139307E-15 GRAD(Rho)y -0.2591989E-15 GRAD(Rho)z 0.1831489E-15 Laplacian 0.5220305E+00 (-1/4)Del**2(Rho)) -0.1305076E+00 Diamond 0.9182710E+00 Metallicity 0.4613129E+01 Ellipticity 0.2314604E-01 Gb(Abramov) 0.1873465E+00 Vb(Abramov) -0.2441854E+00 Hb(Abramov) -0.5683888E-01 Ex_ueg -0.5047942E-01 Ec_ueg -0.7406757E-02 Delta_ex -0.5447401E-01 Delta_ec 0.1356391E-01 Delta_et -0.1773788E+00 Pxc 0.6815321E+01 Qxc -0.4016099E+01 3,-1 155 3 -1 2.486065 -0.348074 -2.723380 Rho 0.1635118E+00 |GRAD(Rho)| 0.1736503E-13 GRAD(Rho)x 0.1498704E-13 GRAD(Rho)y 0.1428850E-14 GRAD(Rho)z 0.8653993E-14 Laplacian 0.6400653E+00 (-1/4)Del**2(Rho)) -0.1600163E+00 Diamond 0.1435296E+01 Metallicity 0.5263858E+01 Ellipticity 0.3841940E-01 Gb(Abramov) 0.2470614E+00 Vb(Abramov) -0.3341065E+00 Hb(Abramov) -0.8704509E-01 Ex_ueg -0.6603648E-01 Ec_ueg -0.9314003E-02 Delta_ex -0.7018849E-01 Delta_ec 0.1583792E-01 Delta_et -0.2130997E+00 Pxc 0.7090022E+01 Qxc -0.4431674E+01 3,-1 156 3 -1 1.761188 -0.643991 1.598073 Rho 0.4323870E-01 |GRAD(Rho)| 0.6249227E-16 GRAD(Rho)x 0.5917626E-16 GRAD(Rho)y -0.8658530E-18 GRAD(Rho)z 0.2006748E-16 Laplacian 0.1776671E+00 (-1/4)Del**2(Rho)) -0.4441677E-01 Diamond 0.7842782E-01 Metallicity 0.2065985E+01 Ellipticity 0.1121181E-01 Gb(Abramov) 0.4490525E-01 Vb(Abramov) -0.4539373E-01 Hb(Abramov) -0.4884771E-03 Ex_ueg -0.1120853E-01 Ec_ueg -0.2044692E-02 Delta_ex -0.1433737E-01 Delta_ec 0.5720216E-02 Delta_et -0.5812000E-01 Pxc 0.5481768E+01 Qxc -0.2506438E+01 3,-1 157 3 -1 -1.805446 -0.152655 1.715069 Rho 0.4632315E-01 |GRAD(Rho)| 0.6406899E-16 GRAD(Rho)x -0.5788113E-17 GRAD(Rho)y 0.3779683E-17 GRAD(Rho)z 0.6369496E-16 Laplacian 0.1226834E+00 (-1/4)Del**2(Rho)) -0.3067085E-01 Diamond 0.8732224E-01 Metallicity 0.3356017E+01 Ellipticity 0.2440835E-01 Gb(Abramov) 0.3760255E-01 Vb(Abramov) -0.4453425E-01 Hb(Abramov) -0.6931701E-02 Ex_ueg -0.1228709E-01 Ec_ueg -0.2212662E-02 Delta_ex -0.1139852E-01 Delta_ec 0.6321314E-02 Delta_et -0.6592374E-01 Pxc 0.5553082E+01 Qxc -0.1803188E+01 3,-1 158 3 -1 2.919057 0.384052 -1.589575 Rho 0.1314428E+00 |GRAD(Rho)| 0.1751288E-13 GRAD(Rho)x 0.2949035E-14 GRAD(Rho)y -0.1596518E-13 GRAD(Rho)z -0.6566376E-14 Laplacian 0.5449128E+00 (-1/4)Del**2(Rho)) -0.1362282E+00 Diamond 0.9421846E+00 Metallicity 0.4297153E+01 Ellipticity 0.1455656E-01 Gb(Abramov) 0.1883844E+00 Vb(Abramov) -0.2405405E+00 Hb(Abramov) -0.5215617E-01 Ex_ueg -0.4935912E-01 Ec_ueg -0.7266392E-02 Delta_ex -0.5666456E-01 Delta_ec 0.1427642E-01 Delta_et -0.1863146E+00 Pxc 0.6792797E+01 Qxc -0.3969101E+01 3,-1 159 3 -1 3.146476 -0.774812 0.883285 Rho 0.1167437E+00 |GRAD(Rho)| 0.2455722E-14 GRAD(Rho)x -0.2343063E-14 GRAD(Rho)y 0.3412154E-15 GRAD(Rho)z 0.6513074E-15 Laplacian 0.5034651E+00 (-1/4)Del**2(Rho)) -0.1258663E+00 Diamond 0.7815013E+00 Metallicity 0.3816802E+01 Ellipticity 0.7148430E-02 Gb(Abramov) 0.1639786E+00 Vb(Abramov) -0.2020910E+00 Hb(Abramov) -0.3811234E-01 Ex_ueg -0.4214018E-01 Ec_ueg -0.6350042E-02 Delta_ex -0.5125898E-01 Delta_ec 0.1422617E-01 Delta_et -0.1830074E+00 Pxc 0.6636204E+01 Qxc -0.3603146E+01 3,-1 160 3 -1 3.163205 -0.773478 -0.904593 Rho 0.1473552E+00 |GRAD(Rho)| 0.4712428E-09 GRAD(Rho)x 0.6671085E-10 GRAD(Rho)y -0.7653411E-10 GRAD(Rho)z 0.4601760E-09 Laplacian 0.6088993E+00 (-1/4)Del**2(Rho)) -0.1522248E+00 Diamond 0.1202888E+01 Metallicity 0.4652400E+01 Ellipticity 0.1533343E-01 Gb(Abramov) 0.2195183E+00 Vb(Abramov) -0.2868118E+00 Hb(Abramov) -0.6729352E-01 Ex_ueg -0.5748297E-01 Ec_ueg -0.8274427E-02 Delta_ex -0.6505445E-01 Delta_ec 0.1542706E-01 Delta_et -0.2046484E+00 Pxc 0.6947063E+01 Qxc -0.4216906E+01 3,-1 161 3 -1 -1.841385 -0.142545 0.936013 Rho 0.3031495E+00 |GRAD(Rho)| 0.5246262E-15 GRAD(Rho)x -0.1848901E-15 GRAD(Rho)y 0.2748867E-16 GRAD(Rho)z -0.4901966E-15 Laplacian -0.1487540E+01 (-1/4)Del**2(Rho)) 0.3718850E+00 Diamond 0.4969269E+01 Metallicity -0.6337326E+01 Ellipticity 0.5527656E-02 Gb(Abramov) 0.1448694E+00 Vb(Abramov) -0.6616237E+00 Hb(Abramov) -0.5167543E+00 Ex_ueg -0.1504045E+00 Ec_ueg -0.1891378E-01 Delta_ex 0.1446335E+00 Delta_ec 0.5258681E-01 Delta_et -0.1218399E+01 Pxc 0.7952114E+01 Qxc 0.2750377E+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 69 141 142 131 87 140 100 118 54 150 149 65 76 66 156 159 129 90 108 146 113 117 135 133 119 92 123 127 128 154 97 121 115 136 96 116 134 98 132 143 144 88 101 105 158 160 155 91 145 71 112 57 151 102 152 114 61 48 137 161 53 153 120 89 49 157 148 93 147 110 1 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 14 14 15 16 17 19 19 21 21 21 25 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 17 23 36 45 46 36 36 26 23 45 23 28 46 27 2.375952 1.940037 1.773718 2.145227 1.949528 1.782049 1.784208 2.465829 1.778082 1.941066 1.936244 2.136322 1.780987 2.429110 2.008204 2.053907 1.948183 1.984034 1.823545 2.365158 1.902828 1.778552 2.121867 1.995457 1.777446 2.436125 1.949401 1.885695 1.972978 1.884914 1.780409 2.366855 1.812037 1.967501 1.970913 2.007860 2.381053 1.781649 1.955641 1.977765 2.063402 1.783728 2.605180 1.967547 1.924283 1.892128 1.876460 1.776430 2.361505 2.016575 2.012540 1.814196 1.998779 2.023145 1.653128 3.208436 3.179414 1.676179 1.013457 1.918811 1.665183 1.657136 3.117813 2.985139 1.698016 3.207006 3.215236 0.990315 3.268627 2.376774 1.940481 1.773754 2.145674 1.949978 1.782067 1.784226 2.466488 1.778132 1.941547 1.936695 2.136756 1.781008 2.429985 2.008491 2.054093 1.948411 1.984263 1.823557 2.365896 1.903049 1.778612 2.122248 1.995935 1.777453 2.436649 1.949851 1.886015 1.973352 1.885298 1.780422 2.367540 1.812250 1.967846 1.971330 2.008296 2.381733 1.781747 1.955994 1.978201 2.063809 1.783747 2.605508 1.967977 1.924678 1.892542 1.876814 1.776433 2.362459 2.016860 2.013472 1.814203 1.999035 2.023362 1.653162 3.220075 3.195009 1.676276 1.013546 1.922009 1.665205 1.657156 3.124161 2.987425 1.700890 3.228355 3.221498 0.990361 3.270925 27 25 22 27 23 22 22 27 23 27 26 27 25 27 24 24 26 25 23 30 23 22 25 23 27 27 24 25 23 26 23 27 23 26 24 25 27 22 24 23 27 22 29 25 25 23 25 21 27 29 24 22 23 25 22 35 35 21 17 24 21 23 33 33 25 35 35 20 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 W O W Ta W W W O O W W Ta O O O O O O O O O O O O O O O O O O O O O O O Si O O O O O O O O H H 2.3082 -0.9253 2.2805 2.1244 2.3103 2.3685 2.2890 -0.9156 -0.9167 2.2865 2.3148 2.1342 -1.1422 -0.8759 -1.1499 -1.1609 -0.8629 -1.0025 -0.9051 -0.9830 -0.8933 -0.9988 -0.8658 -0.9946 -0.9903 -0.8654 -0.9819 -0.8759 -1.0085 -0.9878 -1.0365 -1.0195 -0.9999 -1.0271 -1.0525 2.2417 -0.9223 -1.0469 -1.0266 -1.0054 -0.9180 -0.9173 -0.9199 -1.0067 0.2749 0.2680 2.1465 1.9433 2.1526 2.1263 2.1448 2.1240 2.1481 1.9446 1.9439 2.1482 2.1315 2.1359 1.8977 1.8629 1.8965 1.8959 1.9492 1.9244 1.9452 1.9259 1.8636 1.9241 1.9481 1.9266 1.9257 1.9488 1.9270 1.9479 1.9325 1.9332 1.9288 1.9306 1.9340 1.9288 1.9270 2.3503 1.9428 1.9277 1.9314 1.9342 1.9441 1.9454 1.9447 1.9304 0.5679 0.5882 6.1175 4.9536 6.1286 6.0898 6.1187 6.1062 6.1299 4.9418 4.9440 6.1255 6.1243 6.0954 5.2176 4.9800 5.2265 5.2364 4.8841 5.0520 4.9302 5.0294 5.0031 5.0486 4.8875 5.0397 5.0366 4.8866 5.0276 4.8986 5.0487 5.0310 5.0813 5.0593 5.0379 5.0702 5.1011 6.8309 4.9511 5.0941 5.0655 5.0436 4.9452 4.9424 4.9464 5.0535 0.1572 0.1438 3.3984 0.0283 3.4092 2.6242 3.3966 3.3711 3.4033 0.0292 0.0287 3.4102 3.3995 2.5994 0.0268 0.0330 0.0270 0.0286 0.0296 0.0261 0.0296 0.0277 0.0266 0.0261 0.0302 0.0283 0.0280 0.0300 0.0273 0.0293 0.0273 0.0237 0.0264 0.0296 0.0280 0.0281 0.0244 0.5771 0.0284 0.0251 0.0297 0.0276 0.0287 0.0295 0.0288 0.0229 0.0000 0.0000 14.0294 0.0000 14.0291 14.0353 14.0296 14.0303 14.0297 0.0000 0.0000 14.0296 14.0299 14.0351 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 W O W Ta W W W O O W W Ta O O O O O O O O O O O O O O O O O O O O O O O Si O O O O O O O O H H 2.477563 -0.996014 2.464202 2.355075 2.476009 2.490438 2.475181 -0.983954 -0.988733 2.473103 2.478151 2.368274 -1.049467 -0.604359 -1.058964 -1.056797 -0.938205 -1.036398 -0.887473 -1.022760 -0.724191 -1.043150 -0.932589 -1.014339 -1.018133 -0.935827 -1.026970 -0.947252 -1.039704 -1.089120 -1.063451 -1.039322 -1.033190 -1.055097 -1.090925 1.787526 -0.996943 -1.078537 -1.031651 -1.036251 -0.986117 -0.985519 -0.989002 -1.121095 0.032896 0.023079 1.945797 -0.936572 1.927674 1.820689 1.939315 1.913543 1.918494 -0.924633 -0.925371 1.932681 1.907137 1.869493 -0.686444 -0.726248 -0.693554 -0.682644 -0.852821 -0.776610 -0.818838 -0.751656 -0.950857 -0.792722 -0.851156 -0.731044 -0.743063 -0.850694 -0.792903 -0.862086 -0.888334 -1.030986 -0.906576 -0.865399 -0.886729 -0.889519 -0.946274 1.419625 -0.935886 -0.923924 -0.852821 -0.886596 -0.926661 -0.924228 -0.922635 -1.087741 0.280549 0.349228 2.046064 -0.908492 2.023550 1.950330 2.042979 2.029111 2.023186 -0.884293 -0.892307 2.032801 2.023255 1.962205 -0.776549 -0.716515 -0.793985 -0.761717 -0.864055 -0.867376 -0.858608 -0.846489 -0.959870 -0.894938 -0.865598 -0.833427 -0.831356 -0.846840 -0.871642 -0.862750 -0.916575 -1.013017 -0.950822 -0.918893 -0.908118 -0.933442 -0.986591 1.366136 -0.905506 -0.969790 -0.917196 -0.911622 -0.900255 -0.887524 -0.894033 -1.054730 0.329341 0.375965 -34.92686542 -5.96155595 0.40808620 35.43434227 98.15470300 34.46396547 -15.96268000 -50.56979903 5.42147499 -47.58490396 -310.0824 355.1132 48.1076 -382.6402 -124.5870 -414.0888 Apr22-2024 02:28:00 Nodes: 1 Procs: 1 Apr22-2024 02:28:00 Nodes: 1 Procs: 1 0 Apr22-2024 02:28:00 Nodes: 1 Procs: 1 Apr22-2024 02:28:01 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr22-2024 02:28:02 Nodes: 1 Procs: 1 Apr22-2024 02:28:03 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Apr22-2024 02:28:04 Nodes: 1 Procs: 1 Apr22-2024 02:28:04 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr22-2024 02:28:05 Nodes: 1 Procs: 1 Apr22-2024 02:28:06 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr22-2024 02:28:08 Nodes: 1 Procs: 24 *** (NO TITLE) *** -10 -14.64306197 -14.93933395 -15.05243714 -15.11307791 -15.13504468 -15.12836435 -15.15407849 -15.15893314 -15.16458210 -15.16766073 -15.17681871 -15.17863743 -15.18134291 -15.18267733 -15.18320677 -15.18476910 -15.18501738 -15.18536981 -15.18640624 -15.18679021 -15.18700820 -15.18741368 -15.18803918 -15.18886245 -15.18944738 -15.19109882 -15.19162411 -15.19483690 -15.19672089 -15.19590184 -15.19789354 -15.19876334 -15.19943352 -15.20110333 -15.20212012 -15.20330143 -15.20419404 -15.20478428 -15.20567349 -15.20628027 -15.20663411 -15.20727468 -15.20747185 -15.20783021 -15.20802024 -15.20824845 -15.20881329 -15.20728280 -15.20921669 -15.20996303 -15.21126189 -15.21193839 -15.21527932 -15.21569819 -15.21584196 -15.21618131 -15.21663076 -15.21673364 -15.21694441 -15.21704270 -15.21709229 -15.21726247 -15.21734016 -15.21739974 -15.21745033 -15.21748411 -15.21749608 -15.21750569 -15.21751183 -15.21750767 -15.21748438 GEOMETRY CONVERGED