ADF 2019 2019-11-09 x86_64_linux_intel / intelmpi Oct10-2020 02:58:33 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.02 0.38 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 Oct10-2020 02:58:33 Nodes: 1 Procs: 1 Oct10-2020 02:58:33 Nodes: 1 Procs: 1 0 ADF 2019 2019-11-09 x86_64_linux_intel / intelmpi Oct10-2020 02:58:34 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.42 0.03 0.50 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 Oct10-2020 02:58:33 Nodes: 1 Procs: 1 Oct10-2020 02:58:33 Nodes: 1 Procs: 1 0 Oct10-2020 02:58:34 Nodes: 1 Procs: 1 Oct10-2020 02:58:34 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-11-09 x86_64_linux_intel / intelmpi Oct10-2020 02:58:35 Hydrogen (TZP) kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.21 0.03 1.28 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 Oct10-2020 02:58:33 Nodes: 1 Procs: 1 Oct10-2020 02:58:33 Nodes: 1 Procs: 1 0 Oct10-2020 02:58:34 Nodes: 1 Procs: 1 Oct10-2020 02:58:34 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Oct10-2020 02:58:35 Nodes: 1 Procs: 1 Oct10-2020 02:58:35 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-11-09 x86_64_linux_intel / intelmpi Oct10-2020 02:58:37 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP 2662.2160000000017 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AuxInfo=1/0/N:49;5;6;7;8;9;10;11;12;13;14;15;18;19;20;21;22;23;24;25;26;30;31;32;33;34;35;36;37;38;39;40;41;42;45;46;47;48;50;51;1;2;3;4;16;17;27;28;29;43;44/CRV:1.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:52nWWWWOO1OO1O1O3O1OOO1O1WWOO1OOO3O1OO1O1WWWOO1OOO1O1OOO1O1O1O1O1WWO1O1OOO3OOH/rB:;;;s1s4;s2;s2s3;s4;s3;s2s3;s1;s1s2;s1;s2;s3;;;s1s16;s16;s16;s4s16;s4s16s17;s16;s4s17;s17;;;s20;;s27s29;s27;s27s28;s28s29;s29;s28;s17s28;s3s4;s27;s17;s1;s27;s28;;s10s13s26;s43;s43;s3s43;s29s43;s29s43;s43s44;s29s44;s49;/rC:10.2329,14.1822,6.0707;10.7834,11.4053,7.9304;13.508,11.5938,9.8198;11.3004,14.7477,9.7434;10.6647,13.7761,8.2085;9.0939,11.2942,8.516;11.5339,11.3095,9.7176;10.1169,14.2071,10.9841;13.907,9.8843,9.4726;12.8945,12.0349,7.7622;8.467,13.9633,6.3586;10.4977,12.1608,6.2157;12.3326,14.0458,6.0613;11.082,9.7335,7.3808;13.5656,11.5678,11.6209;10.6382,17.4276,7.9266;13.3373,17.2745,9.7949;10.3391,15.9984,6.45;9.2438,18.4472,7.4033;11.9649,18.0806,6.5746;9.7753,16.2477,9.0875;12.2638,16.1216,8.4663;11.4238,18.4959,9.199;11.9489,16.2292,10.8904;13.5052,18.4378,11.1653;13.4364,11.7242,4.8931;16.3863,18.9165,8.29;13.6381,18.9283,6.2468;15.7941,15.752,6.17;16.5188,16.8396,7.4336;18.0595,19.1977,7.6645;15.5185,19.171,6.4282;14.3618,16.7862,5.837;16.8566,16.0434,4.7437;13.1429,20.5765,6.7349;14.1464,18.2657,8.3456;12.7278,13.6764,10.0303;16.6847,18.1659,9.8874;14.6025,16.0834,10.0647;10.2402,14.2204,4.2706;15.9364,20.5849,8.7988;13.5281,19.0755,4.4556;16.6255,13.075,8.1749;13.7818,12.9007,6.1767;17.2108,14.0449,9.5705;17.8164,11.7206,8.1725;15.1754,12.3508,9.4488;17.244,14.1507,6.7797;14.8964,14.485,7.7057;15.403,12.0744,6.8646;14.9013,14.1222,5.2119;14.5774,14.9655,8.5148;/R:/0/N:31,38,41,6,14,25,39,26,35,42,11,40,45,46,9,15,19,23,34,8,32,30,12,36,7,24,13,50,51,20,18,47,33,49,48,5,37,21,10,22,27,2,17,44,28,1,43,3,16,29,4/E:(1,2,3)(4,5)(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1,20.1,34.3,39.3,40.3 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 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 -4.080 -4.065 -4.030 -3.985 -3.956 -3.861 -3.822 -3.739 -3.721 -3.693 -0.446 -0.337 -0.255 -0.213 -0.181 -0.077 -0.033 0.020 0.150 0.163 A A A A A A A A A A A A A A A A A A A A 0.00000000064029 0.00045536126027 0.00033547641228 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 74 74 74 74 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 8 8 8 8 8 8 1 10.232910 14.182176 6.070704 10.783373 11.405289 7.930414 13.508020 11.593783 9.819817 11.300367 14.747672 9.743418 10.638169 17.427642 7.926563 13.337339 17.274496 9.794893 16.386342 18.916541 8.289990 13.638088 18.928336 6.246833 15.794131 15.751981 6.169965 16.625509 13.075003 8.174944 13.781796 12.900704 6.176655 10.664684 13.776094 8.208497 9.093921 11.294176 8.516014 11.533933 11.309488 9.717600 10.116917 14.207109 10.984104 13.907026 9.884263 9.472596 12.894450 12.034853 7.762246 8.467043 13.963253 6.358554 10.497700 12.160796 6.215712 12.332597 14.045843 6.061253 11.082013 9.733487 7.380785 13.565594 11.567841 11.620937 10.339122 15.998429 6.449954 9.243828 18.447199 7.403335 11.964867 18.080603 6.574587 9.775301 16.247696 9.087500 12.263751 16.121641 8.466255 11.423836 18.495932 9.198989 11.948868 16.229185 10.890352 13.505203 18.437791 11.165328 13.436406 11.724235 4.893106 16.518795 16.839553 7.433572 18.059451 19.197715 7.664483 15.518498 19.170991 6.428227 14.361773 16.786229 5.837016 16.856629 16.043419 4.743707 13.142920 20.576471 6.734945 14.146378 18.265682 8.345557 12.727845 13.676421 10.030301 16.684654 18.165949 9.887441 14.602532 16.083439 10.064718 10.240182 14.220353 4.270566 15.936424 20.584874 8.798811 13.528078 19.075546 4.455620 17.210794 14.044915 9.570516 17.816378 11.720584 8.172491 15.175384 12.350825 9.448820 17.243952 14.150697 6.779683 14.896379 14.485007 7.705671 15.402974 12.074372 6.864626 14.901270 14.122203 5.211948 14.577367 14.965514 8.514798 1 3 -3 10.232910 14.182176 6.070704 Rho 0.4361415E+07 3,-3 2 3 -3 10.783373 11.405289 7.930414 Rho 0.4361416E+07 3,-3 3 3 -3 13.508020 11.593783 9.819817 Rho 0.4361415E+07 3,-3 4 3 -3 11.300367 14.747672 9.743418 Rho 0.4361414E+07 3,-3 5 3 -3 10.638169 17.427642 7.926563 Rho 0.4361415E+07 3,-3 6 3 -3 13.337339 17.274496 9.794893 Rho 0.4361415E+07 3,-3 7 3 -3 16.386342 18.916541 8.289990 Rho 0.4361415E+07 3,-3 8 3 -3 13.638088 18.928336 6.246833 Rho 0.4361415E+07 3,-3 9 3 -3 15.794131 15.751981 6.169965 Rho 0.4361415E+07 3,-3 10 3 -3 16.625509 13.075003 8.174944 Rho 0.4361415E+07 3,-3 11 3 -3 13.781796 12.900704 6.176655 Rho 0.4361415E+07 3,-3 12 3 -3 10.664684 13.776094 8.208497 Rho 0.3188883E+03 3,-3 13 3 -3 9.093921 11.294176 8.516014 Rho 0.3191085E+03 3,-3 14 3 -3 11.533933 11.309488 9.717600 Rho 0.3189167E+03 3,-3 15 3 -3 10.116917 14.207109 10.984104 Rho 0.3190975E+03 3,-3 16 3 -3 13.907026 9.884263 9.472596 Rho 0.3191031E+03 3,-3 17 3 -3 12.894450 12.034853 7.762246 Rho 0.3188228E+03 3,-3 18 3 -3 8.467043 13.963253 6.358554 Rho 0.3190860E+03 3,-3 19 3 -3 10.497700 12.160796 6.215712 Rho 0.3189222E+03 3,-3 20 3 -3 12.332597 14.045843 6.061253 Rho 0.3189706E+03 3,-3 21 3 -3 11.082013 9.733487 7.380785 Rho 0.3191125E+03 3,-3 22 3 -3 13.565594 11.567841 11.620937 Rho 0.3190822E+03 3,-3 23 3 -3 10.339122 15.998429 6.449954 Rho 0.3188914E+03 3,-3 24 3 -3 9.243828 18.447199 7.403335 Rho 0.3190951E+03 3,-3 25 3 -3 11.964867 18.080603 6.574587 Rho 0.3188540E+03 3,-3 26 3 -3 9.775301 16.247696 9.087500 Rho 0.3190094E+03 3,-3 27 3 -3 12.263751 16.121641 8.466255 Rho 0.3189529E+03 3,-3 28 3 -3 11.423836 18.495932 9.198989 Rho 0.3190625E+03 3,-3 29 3 -3 11.948868 16.229185 10.890352 Rho 0.3189288E+03 3,-3 30 3 -3 13.505203 18.437791 11.165328 Rho 0.3190754E+03 3,-3 31 3 -3 13.436406 11.724235 4.893106 Rho 0.3191304E+03 3,-3 32 3 -3 16.518795 16.839553 7.433572 Rho 0.3190186E+03 3,-3 33 3 -3 18.059451 19.197715 7.664483 Rho 0.3190474E+03 3,-3 34 3 -3 15.518498 19.170991 6.428227 Rho 0.3189208E+03 3,-3 35 3 -3 14.361773 16.786229 5.837016 Rho 0.3190741E+03 3,-3 36 3 -3 16.856629 16.043419 4.743707 Rho 0.3190669E+03 3,-3 37 3 -3 13.142920 20.576471 6.734945 Rho 0.3190969E+03 3,-3 38 3 -3 14.146378 18.265682 8.345557 Rho 0.3188696E+03 3,-3 39 3 -3 12.727845 13.676421 10.030301 Rho 0.3190294E+03 3,-3 40 3 -3 16.684654 18.165949 9.887441 Rho 0.3191257E+03 3,-3 41 3 -3 14.602532 16.083439 10.064718 Rho 0.3192683E+03 3,-3 42 3 -3 10.240182 14.220353 4.270566 Rho 0.3190797E+03 3,-3 43 3 -3 15.936424 20.584874 8.798811 Rho 0.3190609E+03 3,-3 44 3 -3 13.528078 19.075546 4.455620 Rho 0.3190755E+03 3,-3 45 3 -3 17.210794 14.044915 9.570516 Rho 0.3191235E+03 3,-3 46 3 -3 17.816378 11.720584 8.172491 Rho 0.3190696E+03 3,-3 47 3 -3 15.175384 12.350825 9.448820 Rho 0.3188712E+03 3,-3 48 3 -3 17.243952 14.150697 6.779683 Rho 0.3189742E+03 3,-3 49 3 -3 14.896379 14.485007 7.705671 Rho 0.3186012E+03 3,-3 50 3 -3 15.402974 12.074372 6.864626 Rho 0.3189213E+03 3,-3 51 3 -3 14.901270 14.122203 5.211948 Rho 0.3189117E+03 3,-3 52 3 -3 14.577367 14.965514 8.514798 Rho 0.4410238E+00 3,-3 53 3 -1 10.184651 16.789560 8.544737 Rho 0.1768161E+00 |GRAD(Rho)| 0.1354952E-14 GRAD(Rho)x 0.4405384E-15 GRAD(Rho)y 0.8718070E-15 GRAD(Rho)z -0.9390275E-15 Laplacian 0.6642715E+00 (-1/4)Del**2(Rho)) -0.1660679E+00 Diamond 0.1650218E+01 Metallicity 0.5778348E+01 Ellipticity 0.6713259E-01 Gb(Abramov) 0.2706449E+00 Vb(Abramov) -0.3752219E+00 Hb(Abramov) -0.1045770E+00 Ex_ueg -0.7329606E-01 Ec_ueg -0.1018170E-01 Delta_ex -0.7439295E-01 Delta_ec 0.1630640E-01 Delta_et -0.2219722E+00 Pxc 0.7198808E+01 Qxc -0.4562193E+01 3,-1 54 3 +1 11.036673 16.005162 8.912882 Rho 0.3456513E-01 |GRAD(Rho)| 0.6489054E-15 GRAD(Rho)x 0.5936799E-15 GRAD(Rho)y -0.1611964E-15 GRAD(Rho)z -0.2064899E-15 Laplacian 0.1211493E+00 (-1/4)Del**2(Rho)) -0.3028733E-01 Diamond 0.1775430E-01 Metallicity 0.2086200E+01 Ellipticity -0.2283738E+01 Gb(Abramov) 0.3072246E-01 Vb(Abramov) -0.3115758E-01 Hb(Abramov) -0.4351259E-03 Ex_ueg -0.8315774E-02 Ec_ueg -0.1581398E-02 Delta_ex -0.7728851E-02 Delta_ec 0.1173486E-02 Delta_et -0.1114911E-01 Pxc 0.5258497E+01 Qxc -0.6586234E+01 3,+1 55 3 +1 10.412849 15.312570 7.898878 Rho 0.9956688E-02 |GRAD(Rho)| 0.4451311E-16 GRAD(Rho)x 0.1538878E-16 GRAD(Rho)y -0.3863966E-16 GRAD(Rho)z 0.1586125E-16 Laplacian 0.4398188E-01 (-1/4)Del**2(Rho)) -0.1099547E-01 Diamond 0.1177936E-02 Metallicity 0.7219895E+00 Ellipticity -0.1184793E+01 Gb(Abramov) 0.8653415E-02 Vb(Abramov) -0.6311361E-02 Hb(Abramov) 0.2342054E-02 Ex_ueg -0.1581994E-02 Ec_ueg -0.3660838E-03 Delta_ex -0.1989517E-02 Delta_ec 0.4472072E-03 Delta_et -0.3305926E-02 Pxc 0.4321400E+01 Qxc -0.4448760E+01 3,+1 56 3 -1 9.889468 17.973946 7.644619 Rho 0.2034530E+00 |GRAD(Rho)| 0.1154500E-13 GRAD(Rho)x -0.9155274E-14 GRAD(Rho)y 0.6064051E-14 GRAD(Rho)z -0.3563041E-14 Laplacian 0.8123177E+00 (-1/4)Del**2(Rho)) -0.2030794E+00 Diamond 0.2332221E+01 Metallicity 0.5970274E+01 Ellipticity 0.4630864E-02 Gb(Abramov) 0.3374596E+00 Vb(Abramov) -0.4718397E+00 Hb(Abramov) -0.1343802E+00 Ex_ueg -0.8837661E-01 Ec_ueg -0.1194943E-01 Delta_ex -0.9388623E-01 Delta_ec 0.1854041E-01 Delta_et -0.2535194E+00 Pxc 0.7395886E+01 Qxc -0.5063871E+01 3,-1 57 3 -1 10.944654 10.505238 7.633380 Rho 0.2148821E+00 |GRAD(Rho)| 0.9837632E-13 GRAD(Rho)x -0.1858012E-13 GRAD(Rho)y 0.9104994E-13 GRAD(Rho)z 0.3228911E-13 Laplacian 0.8060777E+00 (-1/4)Del**2(Rho)) -0.2015194E+00 Diamond 0.2503374E+01 Metallicity 0.6590274E+01 Ellipticity 0.8950417E-02 Gb(Abramov) 0.3556910E+00 Vb(Abramov) -0.5098626E+00 Hb(Abramov) -0.1541716E+00 Ex_ueg -0.9505731E-01 Ec_ueg -0.1272010E-01 Delta_ex -0.9468269E-01 Delta_ec 0.1846834E-01 Delta_et -0.2547715E+00 Pxc 0.7473002E+01 Qxc -0.5126756E+01 3,-1 58 3 -1 11.195963 11.362842 8.873843 Rho 0.1451028E+00 |GRAD(Rho)| 0.5852792E-15 GRAD(Rho)x 0.4283818E-15 GRAD(Rho)y 0.1558532E-15 GRAD(Rho)z 0.3670838E-15 Laplacian 0.5623337E+00 (-1/4)Del**2(Rho)) -0.1405834E+00 Diamond 0.1108318E+01 Metallicity 0.4909969E+01 Ellipticity 0.7214552E-01 Gb(Abramov) 0.2087657E+00 Vb(Abramov) -0.2769479E+00 Hb(Abramov) -0.6818224E-01 Ex_ueg -0.5631441E-01 Ec_ueg -0.8130764E-02 Delta_ex -0.6003804E-01 Delta_ec 0.1463228E-01 Delta_et -0.1944118E+00 Pxc 0.6926090E+01 Qxc -0.4103123E+01 3,-1 59 3 -1 10.634872 11.824204 7.022753 Rho 0.1616068E+00 |GRAD(Rho)| 0.4771585E-13 GRAD(Rho)x 0.5842359E-15 GRAD(Rho)y -0.4497052E-13 GRAD(Rho)z 0.1594092E-13 Laplacian 0.6345085E+00 (-1/4)Del**2(Rho)) -0.1586271E+00 Diamond 0.1417853E+01 Metallicity 0.5207250E+01 Ellipticity 0.7051025E-01 Gb(Abramov) 0.2434199E+00 Vb(Abramov) -0.3282128E+00 Hb(Abramov) -0.8479281E-01 Ex_ueg -0.6501265E-01 Ec_ueg -0.9190610E-02 Delta_ex -0.6951115E-01 Delta_ec 0.1598737E-01 Delta_et -0.2154167E+00 Pxc 0.7073813E+01 Qxc -0.4347880E+01 3,-1 60 3 -1 11.878858 11.748362 7.832011 Rho 0.7615926E-01 |GRAD(Rho)| 0.4935136E-15 GRAD(Rho)x -0.4188951E-15 GRAD(Rho)y -0.2578910E-15 GRAD(Rho)z 0.3968413E-16 Laplacian 0.2843020E+00 (-1/4)Del**2(Rho)) -0.7107549E-01 Diamond 0.2459400E+00 Metallicity 0.3316687E+01 Ellipticity 0.3411135E-01 Gb(Abramov) 0.8667285E-01 Vb(Abramov) -0.1022702E+00 Hb(Abramov) -0.1559737E-01 Ex_ueg -0.2384233E-01 Ec_ueg -0.3905165E-02 Delta_ex -0.2582685E-01 Delta_ec 0.8028976E-02 Delta_et -0.9381292E-01 Pxc 0.6105333E+01 Qxc -0.3216705E+01 3,-1 61 3 +1 11.896239 12.640907 6.678935 Rho 0.1149165E-01 |GRAD(Rho)| 0.3860936E-16 GRAD(Rho)x -0.3023216E-16 GRAD(Rho)y -0.4170305E-18 GRAD(Rho)z -0.2401093E-16 Laplacian 0.4999586E-01 (-1/4)Del**2(Rho)) -0.1249897E-01 Diamond 0.1608436E-02 Metallicity 0.8065843E+00 Ellipticity -0.1234706E+01 Gb(Abramov) 0.1001289E-01 Vb(Abramov) -0.7526811E-02 Hb(Abramov) 0.2486077E-02 Ex_ueg -0.1915262E-02 Ec_ueg -0.4361529E-03 Delta_ex -0.2344102E-02 Delta_ec 0.4961823E-03 Delta_et -0.3801312E-02 Pxc 0.4391263E+01 Qxc -0.4724276E+01 3,+1 62 3 +1 11.516626 12.835789 9.271553 Rho 0.9857212E-02 |GRAD(Rho)| 0.2344358E-16 GRAD(Rho)x 0.4264774E-17 GRAD(Rho)y 0.1952473E-16 GRAD(Rho)z 0.1225553E-16 Laplacian 0.4099533E-01 (-1/4)Del**2(Rho)) -0.1024883E-01 Diamond 0.1126235E-02 Metallicity 0.7617323E+00 Ellipticity -0.1265788E+01 Gb(Abramov) 0.8133698E-02 Vb(Abramov) -0.6018566E-02 Hb(Abramov) 0.2115133E-02 Ex_ueg -0.1560956E-02 Ec_ueg -0.3615766E-03 Delta_ex -0.1865694E-02 Delta_ec 0.4458905E-03 Delta_et -0.3257467E-02 Pxc 0.4317081E+01 Qxc -0.4184198E+01 3,+1 63 3 +3 11.931142 12.871386 8.851786 Rho 0.8784143E-02 |GRAD(Rho)| 0.4149449E-16 GRAD(Rho)x -0.3286438E-16 GRAD(Rho)y 0.6004044E-17 GRAD(Rho)z -0.2461050E-16 Laplacian 0.3979807E-01 (-1/4)Del**2(Rho)) -0.9949517E-02 Diamond 0.7006517E-03 Metallicity 0.6475154E+00 Ellipticity -0.8289322E+00 Gb(Abramov) 0.7706756E-02 Vb(Abramov) -0.5463994E-02 Hb(Abramov) 0.2242761E-02 Ex_ueg -0.1338600E-02 Ec_ueg -0.3132267E-03 Delta_ex -0.1654632E-02 Delta_ec 0.2506374E-03 Delta_et -0.1972140E-02 Pxc 0.4273583E+01 Qxc -0.6601696E+01 3,+3 64 3 +1 12.053418 13.027343 8.705928 Rho 0.8881412E-02 |GRAD(Rho)| 0.6661809E-14 GRAD(Rho)x -0.1681629E-14 GRAD(Rho)y -0.6322493E-14 GRAD(Rho)z 0.1256151E-14 Laplacian 0.4017300E-01 (-1/4)Del**2(Rho)) -0.1004325E-01 Diamond 0.9436242E-03 Metallicity 0.6533545E+00 Ellipticity -0.1140032E+01 Gb(Abramov) 0.7789135E-02 Vb(Abramov) -0.5535018E-02 Hb(Abramov) 0.2254117E-02 Ex_ueg -0.1358400E-02 Ec_ueg -0.3175888E-03 Delta_ex -0.1772737E-02 Delta_ec 0.4268138E-03 Delta_et -0.3052851E-02 Pxc 0.4277230E+01 Qxc -0.4153419E+01 3,+1 65 3 -1 13.198304 11.831659 8.744674 Rho 0.7898968E-01 |GRAD(Rho)| 0.2120020E-13 GRAD(Rho)x -0.2029822E-13 GRAD(Rho)y -0.9684534E-15 GRAD(Rho)z 0.6040937E-14 Laplacian 0.2988995E+00 (-1/4)Del**2(Rho)) -0.7472487E-01 Diamond 0.2740029E+00 Metallicity 0.3352524E+01 Ellipticity 0.3600961E-01 Gb(Abramov) 0.9156941E-01 Vb(Abramov) -0.1084139E+00 Hb(Abramov) -0.1684453E-01 Ex_ueg -0.2503104E-01 Ec_ueg -0.4071016E-02 Delta_ex -0.2746699E-01 Delta_ec 0.8533655E-02 Delta_et -0.1006479E+00 Pxc 0.6148598E+01 Qxc -0.3218666E+01 3,-1 66 3 +3 12.906972 14.221589 8.036898 Rho 0.2284252E-02 |GRAD(Rho)| 0.2911658E-16 GRAD(Rho)x 0.4397795E-17 GRAD(Rho)y 0.2829514E-16 GRAD(Rho)z 0.5274474E-17 Laplacian 0.9475923E-02 (-1/4)Del**2(Rho)) -0.2368981E-02 Diamond 0.3553835E-04 Metallicity 0.2881143E+00 Ellipticity -0.5828632E-01 Gb(Abramov) 0.1693077E-02 Vb(Abramov) -0.1017173E-02 Hb(Abramov) 0.6759040E-03 Ex_ueg -0.2221827E-03 Ec_ueg -0.3198309E-04 Delta_ex -0.2986086E-03 Delta_ec 0.1017816E-03 Delta_et -0.5171651E-03 Pxc 0.6946882E+01 Qxc -0.2933817E+01 3,+3 67 3 -1 13.535415 11.582557 10.788153 Rho 0.2058502E+00 |GRAD(Rho)| 0.2512600E-14 GRAD(Rho)x -0.3832892E-15 GRAD(Rho)y -0.3676462E-15 GRAD(Rho)z -0.2455826E-14 Laplacian 0.7874497E+00 (-1/4)Del**2(Rho)) -0.1968624E+00 Diamond 0.2308462E+01 Metallicity 0.6280236E+01 Ellipticity 0.1599907E-01 Gb(Abramov) 0.3372987E+00 Vb(Abramov) -0.4777350E+00 Hb(Abramov) -0.1404363E+00 Ex_ueg -0.8976773E-01 Ec_ueg -0.1211047E-01 Delta_ex -0.9138813E-01 Delta_ec 0.1809586E-01 Delta_et -0.2483059E+00 Pxc 0.7412406E+01 Qxc -0.5050224E+01 3,-1 68 3 -1 13.720877 10.673617 9.631933 Rho 0.2124763E+00 |GRAD(Rho)| 0.7412824E-15 GRAD(Rho)x -0.4464202E-15 GRAD(Rho)y 0.4306451E-15 GRAD(Rho)z 0.4058982E-15 Laplacian 0.8081079E+00 (-1/4)Del**2(Rho)) -0.2020270E+00 Diamond 0.2469968E+01 Metallicity 0.6451507E+01 Ellipticity 0.5635879E-02 Gb(Abramov) 0.3519144E+00 Vb(Abramov) -0.5018018E+00 Hb(Abramov) -0.1498874E+00 Ex_ueg -0.9364091E-01 Ec_ueg -0.1255727E-01 Delta_ex -0.9460907E-01 Delta_ec 0.1850688E-01 Delta_et -0.2548652E+00 Pxc 0.7457110E+01 Qxc -0.5112101E+01 3,-1 69 3 -1 13.596828 12.266799 5.484710 Rho 0.2202682E+00 |GRAD(Rho)| 0.3227889E-14 GRAD(Rho)x 0.2780355E-14 GRAD(Rho)y -0.1543687E-14 GRAD(Rho)z -0.5531057E-15 Laplacian 0.8175061E+00 (-1/4)Del**2(Rho)) -0.2043765E+00 Diamond 0.2622741E+01 Metallicity 0.6771869E+01 Ellipticity 0.9885006E-02 Gb(Abramov) 0.3669195E+00 Vb(Abramov) -0.5294626E+00 Hb(Abramov) -0.1625430E+00 Ex_ueg -0.9824735E-01 Ec_ueg -0.1308579E-01 Delta_ex -0.9668307E-01 Delta_ec 0.1867555E-01 Delta_et -0.2583191E+00 Pxc 0.7507944E+01 Qxc -0.5176987E+01 3,-1 70 3 -1 13.093616 12.682079 9.923692 Rho 0.6772825E-01 |GRAD(Rho)| 0.2181536E-14 GRAD(Rho)x 0.8128797E-15 GRAD(Rho)y -0.2022562E-14 GRAD(Rho)z -0.8699812E-16 Laplacian 0.2733374E+00 (-1/4)Del**2(Rho)) -0.6833435E-01 Diamond 0.2116110E+00 Metallicity 0.2837030E+01 Ellipticity 0.2600535E-02 Gb(Abramov) 0.7786733E-01 Vb(Abramov) -0.8740031E-01 Hb(Abramov) -0.9532981E-02 Ex_ueg -0.2038973E-01 Ec_ueg -0.3416033E-02 Delta_ex -0.2437172E-01 Delta_ec 0.8242565E-02 Delta_et -0.9396138E-01 Pxc 0.5968834E+01 Qxc -0.2956813E+01 3,-1 71 3 -1 13.317616 12.449384 7.019177 Rho 0.1206838E+00 |GRAD(Rho)| 0.4323224E-13 GRAD(Rho)x -0.3688286E-13 GRAD(Rho)y 0.1164140E-13 GRAD(Rho)z -0.1931734E-13 Laplacian 0.4657827E+00 (-1/4)Del**2(Rho)) -0.1164457E+00 Diamond 0.7260858E+00 Metallicity 0.4360251E+01 Ellipticity 0.5677091E-01 Gb(Abramov) 0.1622525E+00 Vb(Abramov) -0.2080593E+00 Hb(Abramov) -0.4580683E-01 Ex_ueg -0.4404707E-01 Ec_ueg -0.6594215E-02 Delta_ex -0.4744356E-01 Delta_ec 0.1243546E-01 Delta_et -0.1599620E+00 Pxc 0.6679654E+01 Qxc -0.3815184E+01 3,-1 72 3 +1 14.425593 12.175860 8.086435 Rho 0.1082827E-01 |GRAD(Rho)| 0.1181385E-10 GRAD(Rho)x -0.1119296E-10 GRAD(Rho)y -0.3762059E-11 GRAD(Rho)z -0.3628520E-12 Laplacian 0.4918772E-01 (-1/4)Del**2(Rho)) -0.1229693E-01 Diamond 0.1569280E-02 Metallicity 0.7424859E+00 Ellipticity -0.1236567E+01 Gb(Abramov) 0.9719670E-02 Vb(Abramov) -0.7142409E-02 Hb(Abramov) 0.2577261E-02 Ex_ueg -0.1769282E-02 Ec_ueg -0.4057516E-03 Delta_ex -0.2306071E-02 Delta_ec 0.5539463E-03 Delta_et -0.4118394E-02 Pxc 0.4360506E+01 Qxc -0.4162986E+01 3,+1 73 3 -1 13.801469 14.290047 9.005712 Rho 0.5550929E-02 |GRAD(Rho)| 0.8165926E-17 GRAD(Rho)x 0.5705614E-17 GRAD(Rho)y 0.5149960E-17 GRAD(Rho)z -0.2757939E-17 Laplacian 0.2355513E-01 (-1/4)Del**2(Rho)) -0.5888782E-02 Diamond 0.8534783E-03 Metallicity 0.5091008E+00 Ellipticity 0.1141896E+01 Gb(Abramov) 0.4425519E-02 Vb(Abramov) -0.2962255E-02 Hb(Abramov) 0.1463263E-02 Ex_ueg -0.7258931E-03 Ec_ueg -0.1706980E-03 Delta_ex -0.1373918E-02 Delta_ec 0.1060845E-02 Delta_et -0.5817449E-02 Pxc 0.4252498E+01 Qxc -0.1295117E+01 3,-1 74 3 +3 14.114241 16.306900 7.756386 Rho 0.2730854E-02 |GRAD(Rho)| 0.7334976E-17 GRAD(Rho)x -0.8199279E-18 GRAD(Rho)y 0.6410345E-17 GRAD(Rho)z -0.3469447E-17 Laplacian 0.1104380E-01 (-1/4)Del**2(Rho)) -0.2760949E-02 Diamond 0.5472102E-04 Metallicity 0.3329090E+00 Ellipticity -0.7784814E+00 Gb(Abramov) 0.1993824E-02 Vb(Abramov) -0.1226698E-02 Hb(Abramov) 0.7671256E-03 Ex_ueg -0.2819138E-03 Ec_ueg -0.5060854E-04 Delta_ex -0.3671653E-03 Delta_ec 0.1262115E-03 Delta_et -0.6628314E-03 Pxc 0.5570479E+01 Qxc -0.2909128E+01 3,+3 75 3 -1 14.023696 17.811162 6.042197 Rho 0.5802322E-01 |GRAD(Rho)| 0.7539035E-15 GRAD(Rho)x -0.5652005E-15 GRAD(Rho)y 0.4984924E-15 GRAD(Rho)z 0.2059412E-16 Laplacian 0.2296673E+00 (-1/4)Del**2(Rho)) -0.5741683E-01 Diamond 0.1448182E+00 Metallicity 0.2609258E+01 Ellipticity 0.1704629E-01 Gb(Abramov) 0.6324710E-01 Vb(Abramov) -0.6907738E-01 Hb(Abramov) -0.5830277E-02 Ex_ueg -0.1659030E-01 Ec_ueg -0.2862944E-02 Delta_ex -0.1971111E-01 Delta_ec 0.6979731E-02 Delta_et -0.7654077E-01 Pxc 0.5794838E+01 Qxc -0.2824050E+01 3,-1 76 3 -1 13.758956 17.798942 9.019191 Rho 0.1464854E+00 |GRAD(Rho)| 0.7925473E-15 GRAD(Rho)x 0.7848133E-15 GRAD(Rho)y -0.9334981E-16 GRAD(Rho)z 0.5903481E-16 Laplacian 0.5765424E+00 (-1/4)Del**2(Rho)) -0.1441356E+00 Diamond 0.1133866E+01 Metallicity 0.4865257E+01 Ellipticity 0.6168194E-01 Gb(Abramov) 0.2129665E+00 Vb(Abramov) -0.2817975E+00 Hb(Abramov) -0.6883093E-01 Ex_ueg -0.5703098E-01 Ec_ueg -0.8218910E-02 Delta_ex -0.6153857E-01 Delta_ec 0.1468323E-01 Delta_et -0.1947405E+00 Pxc 0.6938996E+01 Qxc -0.4191079E+01 3,-1 77 3 +1 15.230415 17.596371 9.635618 Rho 0.8451026E-02 |GRAD(Rho)| 0.4805639E-16 GRAD(Rho)x -0.3397432E-17 GRAD(Rho)y 0.2749453E-16 GRAD(Rho)z -0.3926735E-16 Laplacian 0.3202727E-01 (-1/4)Del**2(Rho)) -0.8006817E-02 Diamond 0.9350507E-03 Metallicity 0.7544127E+00 Ellipticity -0.1626907E+01 Gb(Abramov) 0.6344619E-02 Vb(Abramov) -0.4682421E-02 Hb(Abramov) 0.1662198E-02 Ex_ueg -0.1271348E-02 Ec_ueg -0.2983195E-03 Delta_ex -0.1501935E-02 Delta_ec 0.5314781E-03 Delta_et -0.3550340E-02 Pxc 0.4261697E+01 Qxc -0.2825958E+01 3,+1 78 3 +1 15.385107 16.251345 8.571296 Rho 0.4324678E-02 |GRAD(Rho)| 0.6130178E-16 GRAD(Rho)x -0.4549043E-16 GRAD(Rho)y -0.4107030E-16 GRAD(Rho)z 0.1326454E-17 Laplacian 0.1751161E-01 (-1/4)Del**2(Rho)) -0.4377902E-02 Diamond 0.3314798E-03 Metallicity 0.4517278E+00 Ellipticity -0.2306420E+01 Gb(Abramov) 0.3248204E-02 Vb(Abramov) -0.2118507E-02 Hb(Abramov) 0.1129697E-02 Ex_ueg -0.5203834E-03 Ec_ueg -0.1179677E-03 Delta_ex -0.8417554E-03 Delta_ec 0.5422650E-03 Delta_et -0.2822952E-02 Pxc 0.4411236E+01 Qxc -0.1552295E+01 3,+1 79 3 -1 15.555016 17.222745 9.951683 Rho 0.9628622E-02 |GRAD(Rho)| 0.9043631E-13 GRAD(Rho)x 0.6073860E-13 GRAD(Rho)y 0.5052487E-13 GRAD(Rho)z -0.4400893E-13 Laplacian 0.3822280E-01 (-1/4)Del**2(Rho)) -0.9555699E-02 Diamond 0.2549823E-02 Metallicity 0.7856533E+00 Ellipticity 0.4530351E+00 Gb(Abramov) 0.7621710E-02 Vb(Abramov) -0.5687722E-02 Hb(Abramov) 0.1933989E-02 Ex_ueg -0.1512878E-02 Ec_ueg -0.3512353E-03 Delta_ex -0.2322836E-02 Delta_ec 0.1476530E-02 Delta_et -0.9654300E-02 Pxc 0.4307306E+01 Qxc -0.1573173E+01 3,-1 80 3 -1 15.842921 15.036010 9.752179 Rho 0.4110132E-02 |GRAD(Rho)| 0.1350132E-16 GRAD(Rho)x 0.8456777E-17 GRAD(Rho)y -0.1052184E-16 GRAD(Rho)z 0.2439455E-18 Laplacian 0.1522702E-01 (-1/4)Del**2(Rho)) -0.3806754E-02 Diamond 0.3811230E-03 Metallicity 0.4772632E+00 Ellipticity 0.8345466E+00 Gb(Abramov) 0.2840640E-02 Vb(Abramov) -0.1874526E-02 Hb(Abramov) 0.9661140E-03 Ex_ueg -0.4862498E-03 Ec_ueg -0.1088215E-03 Delta_ex -0.8598999E-03 Delta_ec 0.7124945E-03 Delta_et -0.3552038E-02 Pxc 0.4468326E+01 Qxc -0.1206886E+01 3,-1 81 3 -1 14.393731 12.002473 9.601507 Rho 0.1680681E+00 |GRAD(Rho)| 0.3984419E-13 GRAD(Rho)x -0.3360447E-13 GRAD(Rho)y -0.1732315E-13 GRAD(Rho)z 0.1257805E-13 Laplacian 0.7014766E+00 (-1/4)Del**2(Rho)) -0.1753691E+00 Diamond 0.1623059E+01 Metallicity 0.5028154E+01 Ellipticity 0.2257628E-01 Gb(Abramov) 0.2638766E+00 Vb(Abramov) -0.3523841E+00 Hb(Abramov) -0.8850747E-01 Ex_ueg -0.6850127E-01 Ec_ueg -0.9609991E-02 Delta_ex -0.7742804E-01 Delta_ec 0.1719378E-01 Delta_et -0.2319947E+00 Pxc 0.7128130E+01 Qxc -0.4503259E+01 3,-1 82 3 +1 13.120758 14.908795 7.480014 Rho 0.3440007E-02 |GRAD(Rho)| 0.5461951E-17 GRAD(Rho)x 0.7047314E-18 GRAD(Rho)y 0.5103374E-17 GRAD(Rho)z 0.1814345E-17 Laplacian 0.1347104E-01 (-1/4)Del**2(Rho)) -0.3367760E-02 Diamond 0.1275905E-03 Metallicity 0.4009999E+00 Ellipticity -0.1318060E+01 Gb(Abramov) 0.2470252E-02 Vb(Abramov) -0.1572744E-02 Hb(Abramov) 0.8975080E-03 Ex_ueg -0.3835284E-03 Ec_ueg -0.8041030E-04 Delta_ex -0.5288182E-03 Delta_ec 0.2534838E-03 Delta_et -0.1300589E-02 Pxc 0.4769642E+01 Qxc -0.2086202E+01 3,+1 83 3 +1 12.258884 11.656615 8.742266 Rho 0.3620948E-01 |GRAD(Rho)| 0.1081268E-15 GRAD(Rho)x 0.4418667E-16 GRAD(Rho)y -0.1416385E-16 GRAD(Rho)z -0.9766441E-16 Laplacian 0.1459187E+00 (-1/4)Del**2(Rho)) -0.3647967E-01 Diamond 0.2905436E-01 Metallicity 0.1871570E+01 Ellipticity -0.3931281E+01 Gb(Abramov) 0.3569882E-01 Vb(Abramov) -0.3491798E-01 Hb(Abramov) 0.7808464E-03 Ex_ueg -0.8847382E-02 Ec_ueg -0.1668127E-02 Delta_ex -0.9848565E-02 Delta_ec 0.2151141E-02 Delta_et -0.2069547E-01 Pxc 0.5303781E+01 Qxc -0.4578299E+01 3,+1 84 3 -1 15.229603 18.569574 8.328964 Rho 0.5591994E-01 |GRAD(Rho)| 0.1878059E-15 GRAD(Rho)x -0.1513428E-15 GRAD(Rho)y -0.1110820E-15 GRAD(Rho)z 0.5217591E-17 Laplacian 0.2037486E+00 (-1/4)Del**2(Rho)) -0.5093715E-01 Diamond 0.1184822E+00 Metallicity 0.2765645E+01 Ellipticity 0.7258509E-02 Gb(Abramov) 0.5743710E-01 Vb(Abramov) -0.6393706E-01 Hb(Abramov) -0.6499958E-02 Ex_ueg -0.1579334E-01 Ec_ueg -0.2744628E-02 Delta_ex -0.1718643E-01 Delta_ec 0.5948187E-02 Delta_et -0.6451944E-01 Pxc 0.5754273E+01 Qxc -0.2889355E+01 3,-1 85 3 +1 15.718231 14.945335 9.490912 Rho 0.4014539E-02 |GRAD(Rho)| 0.1494430E-14 GRAD(Rho)x -0.6841722E-15 GRAD(Rho)y -0.3382524E-15 GRAD(Rho)z -0.1284841E-14 Laplacian 0.1552347E-01 (-1/4)Del**2(Rho)) -0.3880867E-02 Diamond 0.2630827E-03 Metallicity 0.4501431E+00 Ellipticity -0.2176803E+01 Gb(Abramov) 0.2878402E-02 Vb(Abramov) -0.1875938E-02 Hb(Abramov) 0.1002465E-02 Ex_ueg -0.4712297E-03 Ec_ueg -0.1047541E-03 Delta_ex -0.7322765E-03 Delta_ec 0.4744392E-03 Delta_et -0.2417783E-02 Pxc 0.4498438E+01 Qxc -0.1543457E+01 3,+1 86 3 +1 15.010126 18.731833 7.551106 Rho 0.3115399E-01 |GRAD(Rho)| 0.1328857E-15 GRAD(Rho)x 0.7520240E-16 GRAD(Rho)y -0.8326323E-17 GRAD(Rho)z -0.1092423E-15 Laplacian 0.1209210E+00 (-1/4)Del**2(Rho)) -0.3023024E-01 Diamond 0.1867018E-01 Metallicity 0.1757793E+01 Ellipticity -0.2823786E+01 Gb(Abramov) 0.2900991E-01 Vb(Abramov) -0.2778958E-01 Hb(Abramov) 0.1220330E-02 Ex_ueg -0.7239968E-02 Ec_ueg -0.1403284E-02 Delta_ex -0.7756765E-02 Delta_ec 0.1654814E-02 Delta_et -0.1542161E-01 Pxc 0.5159305E+01 Qxc -0.4687394E+01 3,+1 87 3 -1 15.968577 12.555770 7.487693 Rho 0.1099792E+00 |GRAD(Rho)| 0.1889536E-14 GRAD(Rho)x 0.1307284E-14 GRAD(Rho)y 0.8308580E-15 GRAD(Rho)z 0.1082142E-14 Laplacian 0.4364597E+00 (-1/4)Del**2(Rho)) -0.1091149E+00 Diamond 0.6080100E+00 Metallicity 0.3985838E+01 Ellipticity 0.3054239E-01 Gb(Abramov) 0.1452290E+00 Vb(Abramov) -0.1813431E+00 Hb(Abramov) -0.3611410E-01 Ex_ueg -0.3891636E-01 Ec_ueg -0.5933421E-02 Delta_ex -0.4348133E-01 Delta_ec 0.1189363E-01 Delta_et -0.1504436E+00 Pxc 0.6558841E+01 Qxc -0.3655850E+01 3,-1 88 3 -1 15.854313 12.693205 8.836885 Rho 0.1034960E+00 |GRAD(Rho)| 0.4514386E-12 GRAD(Rho)x 0.3475692E-12 GRAD(Rho)y 0.1432112E-12 GRAD(Rho)z -0.2499660E-12 Laplacian 0.4213429E+00 (-1/4)Del**2(Rho)) -0.1053357E+00 Diamond 0.5556001E+00 Metallicity 0.3731216E+01 Ellipticity 0.2122506E-01 Gb(Abramov) 0.1357289E+00 Vb(Abramov) -0.1661220E+00 Hb(Abramov) -0.3039316E-01 Ex_ueg -0.3588807E-01 Ec_ueg -0.5537313E-02 Delta_ex -0.4154510E-01 Delta_ec 0.1193397E-01 Delta_et -0.1496029E+00 Pxc 0.6481135E+01 Qxc -0.3481247E+01 3,-1 89 3 -1 15.729929 13.808492 7.950135 Rho 0.6489612E-01 |GRAD(Rho)| 0.2387550E-13 GRAD(Rho)x 0.1822986E-13 GRAD(Rho)y -0.1481964E-13 GRAD(Rho)z 0.4253210E-14 Laplacian 0.2423096E+00 (-1/4)Del**2(Rho)) -0.6057740E-01 Diamond 0.1744784E+00 Metallicity 0.2980394E+01 Ellipticity 0.3495131E-01 Gb(Abramov) 0.7047569E-01 Vb(Abramov) -0.8037398E-01 Hb(Abramov) -0.9898291E-02 Ex_ueg -0.1926091E-01 Ec_ueg -0.3253470E-02 Delta_ex -0.2129300E-01 Delta_ec 0.7171823E-02 Delta_et -0.8081498E-01 Pxc 0.5920111E+01 Qxc -0.2968980E+01 3,-1 90 3 +1 16.045249 14.527595 7.123377 Rho 0.3089129E-01 |GRAD(Rho)| 0.9729625E-14 GRAD(Rho)x -0.1897607E-14 GRAD(Rho)y 0.7677458E-14 GRAD(Rho)z -0.5667567E-14 Laplacian 0.1178478E+00 (-1/4)Del**2(Rho)) -0.2946194E-01 Diamond 0.1753814E-01 Metallicity 0.1778355E+01 Ellipticity -0.2615025E+01 Gb(Abramov) 0.2837360E-01 Vb(Abramov) -0.2728525E-01 Hb(Abramov) 0.1088346E-02 Ex_ueg -0.7158683E-02 Ec_ueg -0.1389672E-02 Delta_ex -0.7505348E-02 Delta_ec 0.1547633E-02 Delta_et -0.1440210E-01 Pxc 0.5151347E+01 Qxc -0.4849564E+01 3,+1 91 3 +1 14.987154 13.302869 7.218212 Rho 0.2741452E-01 |GRAD(Rho)| 0.2881614E-15 GRAD(Rho)x -0.5783808E-16 GRAD(Rho)y 0.2675319E-15 GRAD(Rho)z 0.9010240E-16 Laplacian 0.1063273E+00 (-1/4)Del**2(Rho)) -0.2658183E-01 Diamond 0.1552344E-01 Metallicity 0.1615360E+01 Ellipticity -0.3908195E+01 Gb(Abramov) 0.2487776E-01 Vb(Abramov) -0.2317368E-01 Hb(Abramov) 0.1704073E-02 Ex_ueg -0.6105096E-02 Ec_ueg -0.1211033E-02 Delta_ex -0.6752832E-02 Delta_ec 0.1758741E-02 Delta_et -0.1588352E-01 Pxc 0.5041230E+01 Qxc -0.3839584E+01 3,+1 92 3 -1 16.442849 17.832097 7.836695 Rho 0.6496944E-01 |GRAD(Rho)| 0.9754670E-15 GRAD(Rho)x 0.1621251E-15 GRAD(Rho)y -0.8481053E-15 GRAD(Rho)z -0.4538377E-15 Laplacian 0.2596402E+00 (-1/4)Del**2(Rho)) -0.6491005E-01 Diamond 0.1897512E+00 Metallicity 0.2786698E+01 Ellipticity 0.1008291E-01 Gb(Abramov) 0.7342081E-01 Vb(Abramov) -0.8193157E-01 Hb(Abramov) -0.8510763E-02 Ex_ueg -0.1928993E-01 Ec_ueg -0.3257667E-02 Delta_ex -0.2289873E-01 Delta_ec 0.7820722E-02 Delta_et -0.8822603E-01 Pxc 0.5921393E+01 Qxc -0.2927956E+01 3,-1 93 3 -1 12.229469 15.053166 7.291769 Rho 0.5805754E-02 |GRAD(Rho)| 0.5950237E-16 GRAD(Rho)x -0.4744033E-16 GRAD(Rho)y -0.5601981E-17 GRAD(Rho)z 0.3547625E-16 Laplacian 0.2336721E-01 (-1/4)Del**2(Rho)) -0.5841803E-02 Diamond 0.8549667E-03 Metallicity 0.5530579E+00 Ellipticity 0.3889901E+00 Gb(Abramov) 0.4433012E-02 Vb(Abramov) -0.3024220E-02 Hb(Abramov) 0.1408792E-02 Ex_ueg -0.7706607E-03 Ec_ueg -0.1817508E-03 Delta_ex -0.1339778E-02 Delta_ec 0.9922309E-03 Delta_et -0.5533894E-02 Pxc 0.4240206E+01 Qxc -0.1350269E+01 3,-1 94 3 +1 11.935694 14.920824 7.405830 Rho 0.5602827E-02 |GRAD(Rho)| 0.1627336E-11 GRAD(Rho)x 0.3542110E-12 GRAD(Rho)y 0.7523441E-12 GRAD(Rho)z 0.1398833E-11 Laplacian 0.2375403E-01 (-1/4)Del**2(Rho)) -0.5938508E-02 Diamond 0.4885692E-03 Metallicity 0.5127289E+00 Ellipticity -0.1432445E+01 Gb(Abramov) 0.4466479E-02 Vb(Abramov) -0.2994451E-02 Hb(Abramov) 0.1472029E-02 Ex_ueg -0.7349559E-03 Ec_ueg -0.1729464E-03 Delta_ex -0.1082216E-02 Delta_ec 0.5243506E-03 Delta_et -0.3035711E-02 Pxc 0.4249616E+01 Qxc -0.2063918E+01 3,+1 95 3 -1 9.284761 14.060684 6.228115 Rho 0.2054474E+00 |GRAD(Rho)| 0.1650576E-14 GRAD(Rho)x 0.1613401E-14 GRAD(Rho)y 0.8942635E-16 GRAD(Rho)z -0.3366583E-15 Laplacian 0.7967943E+00 (-1/4)Del**2(Rho)) -0.1991986E+00 Diamond 0.2326710E+01 Metallicity 0.6186354E+01 Ellipticity 0.4284360E-02 Gb(Abramov) 0.3381845E+00 Vb(Abramov) -0.4771705E+00 Hb(Abramov) -0.1389860E+00 Ex_ueg -0.8953359E-01 Ec_ueg -0.1208339E-01 Delta_ex -0.9240222E-01 Delta_ec 0.1827786E-01 Delta_et -0.2506136E+00 Pxc 0.7409644E+01 Qxc -0.5055417E+01 3,-1 96 3 -1 10.515594 15.533921 9.395432 Rho 0.7014325E-01 |GRAD(Rho)| 0.5064493E-13 GRAD(Rho)x 0.1974857E-13 GRAD(Rho)y 0.4120938E-13 GRAD(Rho)z -0.2183323E-13 Laplacian 0.2697548E+00 (-1/4)Del**2(Rho)) -0.6743870E-01 Diamond 0.2106300E+00 Metallicity 0.3047571E+01 Ellipticity 0.2586337E-02 Gb(Abramov) 0.7921317E-01 Vb(Abramov) -0.9098764E-01 Hb(Abramov) -0.1177447E-01 Ex_ueg -0.2136484E-01 Ec_ueg -0.3555365E-02 Delta_ex -0.2403938E-01 Delta_ec 0.7721008E-02 Delta_et -0.8852638E-01 Pxc 0.6009183E+01 Qxc -0.3113503E+01 3,-1 97 3 -1 11.488083 16.745308 8.210113 Rho 0.8824739E-01 |GRAD(Rho)| 0.1647799E-14 GRAD(Rho)x -0.1050179E-14 GRAD(Rho)y 0.1192436E-14 GRAD(Rho)z -0.4364193E-15 Laplacian 0.3356597E+00 (-1/4)Del**2(Rho)) -0.8391493E-01 Diamond 0.3522103E+00 Metallicity 0.3591013E+01 Ellipticity 0.1751306E-01 Gb(Abramov) 0.1061666E+00 Vb(Abramov) -0.1284182E+00 Hb(Abramov) -0.2225163E-01 Ex_ueg -0.2901711E-01 Ec_ueg -0.4618802E-02 Delta_ex -0.3164382E-01 Delta_ec 0.9373188E-02 Delta_et -0.1132348E+00 Pxc 0.6282389E+01 Qxc -0.3375993E+01 3,-1 98 3 +1 12.598998 18.052343 8.056221 Rho 0.9940142E-02 |GRAD(Rho)| 0.1024535E-12 GRAD(Rho)x 0.3854165E-13 GRAD(Rho)y -0.1031708E-13 GRAD(Rho)z 0.9436530E-13 Laplacian 0.4260835E-01 (-1/4)Del**2(Rho)) -0.1065209E-01 Diamond 0.1078466E-02 Metallicity 0.7432006E+00 Ellipticity -0.1136901E+01 Gb(Abramov) 0.8420831E-02 Vb(Abramov) -0.6189575E-02 Hb(Abramov) 0.2231256E-02 Ex_ueg -0.1578490E-02 Ec_ueg -0.3653338E-03 Delta_ex -0.1904207E-02 Delta_ec 0.3933950E-03 Delta_et -0.2949623E-02 Pxc 0.4320679E+01 Qxc -0.4840444E+01 3,+1 99 3 -1 11.064829 17.996559 8.606891 Rho 0.1897139E+00 |GRAD(Rho)| 0.2167393E-11 GRAD(Rho)x 0.9364154E-12 GRAD(Rho)y 0.1253977E-11 GRAD(Rho)z 0.1499420E-11 Laplacian 0.7165021E+00 (-1/4)Del**2(Rho)) -0.1791255E+00 Diamond 0.1930730E+01 Metallicity 0.6024128E+01 Ellipticity 0.5361385E-01 Gb(Abramov) 0.2992629E+00 Vb(Abramov) -0.4194002E+00 Hb(Abramov) -0.1201373E+00 Ex_ueg -0.8051013E-01 Ec_ueg -0.1103263E-01 Delta_ex -0.8163175E-01 Delta_ec 0.1718294E-01 Delta_et -0.2353685E+00 Pxc 0.7297454E+01 Qxc -0.4750743E+01 3,-1 100 3 -1 12.998557 13.506048 6.124267 Rho 0.1776541E+00 |GRAD(Rho)| 0.7283650E-15 GRAD(Rho)x -0.2914878E-15 GRAD(Rho)y 0.6621765E-15 GRAD(Rho)z -0.8410021E-16 Laplacian 0.7433723E+00 (-1/4)Del**2(Rho)) -0.1858431E+00 Diamond 0.1816986E+01 Metallicity 0.5204340E+01 Ellipticity 0.2162033E-01 Gb(Abramov) 0.2850938E+00 Vb(Abramov) -0.3843445E+00 Hb(Abramov) -0.9925073E-01 Ex_ueg -0.7375965E-01 Ec_ueg -0.1023670E-01 Delta_ex -0.8303036E-01 Delta_ec 0.1765432E-01 Delta_et -0.2387871E+00 Pxc 0.7205413E+01 Qxc -0.4703119E+01 3,-1 101 3 +1 13.724605 16.003276 7.401846 Rho 0.3007915E-02 |GRAD(Rho)| 0.6403416E-17 GRAD(Rho)x 0.4106416E-17 GRAD(Rho)y -0.3618525E-17 GRAD(Rho)z -0.3323757E-17 Laplacian 0.1189734E-01 (-1/4)Del**2(Rho)) -0.2974335E-02 Diamond 0.1074117E-03 Metallicity 0.3630272E+00 Ellipticity -0.1350765E+01 Gb(Abramov) 0.2162851E-02 Vb(Abramov) -0.1351366E-02 Hb(Abramov) 0.8114842E-03 Ex_ueg -0.3206804E-03 Ec_ueg -0.6221908E-04 Delta_ex -0.4782644E-03 Delta_ec 0.2674036E-03 Delta_et -0.1290180E-02 Pxc 0.5154053E+01 Qxc -0.1788549E+01 3,+1 102 3 +1 13.831622 14.617911 9.248280 Rho 0.5310990E-02 |GRAD(Rho)| 0.2381031E-16 GRAD(Rho)x 0.1475870E-16 GRAD(Rho)y 0.1121641E-16 GRAD(Rho)z -0.1494336E-16 Laplacian 0.2195408E-01 (-1/4)Del**2(Rho)) -0.5488520E-02 Diamond 0.5006211E-03 Metallicity 0.5074466E+00 Ellipticity -0.1998170E+01 Gb(Abramov) 0.4123202E-02 Vb(Abramov) -0.2757884E-02 Hb(Abramov) 0.1365318E-02 Ex_ueg -0.6843617E-03 Ec_ueg -0.1603204E-03 Delta_ex -0.1057579E-02 Delta_ec 0.6077686E-03 Delta_et -0.3394551E-02 Pxc 0.4268712E+01 Qxc -0.1740102E+01 3,+1 103 3 +1 14.038709 13.737884 8.965222 Rho 0.4824557E-02 |GRAD(Rho)| 0.7683078E-17 GRAD(Rho)x 0.2379739E-17 GRAD(Rho)y -0.1581411E-17 GRAD(Rho)z -0.7132017E-17 Laplacian 0.2053557E-01 (-1/4)Del**2(Rho)) -0.5133891E-02 Diamond 0.3369917E-03 Metallicity 0.4622414E+00 Ellipticity -0.1395549E+01 Gb(Abramov) 0.3818110E-02 Vb(Abramov) -0.2502329E-02 Hb(Abramov) 0.1315781E-02 Ex_ueg -0.6020902E-03 Ec_ueg -0.1393706E-03 Delta_ex -0.8976875E-03 Delta_ec 0.4389566E-03 Delta_et -0.2442746E-02 Pxc 0.4320067E+01 Qxc -0.2045048E+01 3,+1 104 3 -1 14.590457 15.372190 9.041570 Rho 0.2677208E-01 |GRAD(Rho)| 0.2652913E-15 GRAD(Rho)x 0.1082345E-15 GRAD(Rho)y -0.2319633E-15 GRAD(Rho)z -0.6969780E-16 Laplacian 0.8773527E-01 (-1/4)Del**2(Rho)) -0.2193382E-01 Diamond 0.2891966E-01 Metallicity 0.1881811E+01 Ellipticity 0.4014912E-01 Gb(Abramov) 0.2150176E-01 Vb(Abramov) -0.2106970E-01 Hb(Abramov) 0.4320571E-03 Ex_ueg -0.5915089E-02 Ec_ueg -0.1178343E-02 Delta_ex -0.7174394E-02 Delta_ec 0.4375421E-02 Delta_et -0.3874681E-01 Pxc 0.5019836E+01 Qxc -0.1639704E+01 3,-1 105 3 -1 14.639662 19.048978 6.357300 Rho 0.1590783E+00 |GRAD(Rho)| 0.3767114E-12 GRAD(Rho)x -0.3688155E-12 GRAD(Rho)y -0.1969005E-13 GRAD(Rho)z -0.7415473E-13 Laplacian 0.6091027E+00 (-1/4)Del**2(Rho)) -0.1522757E+00 Diamond 0.1340216E+01 Metallicity 0.5283730E+01 Ellipticity 0.5366685E-01 Gb(Abramov) 0.2356144E+00 Vb(Abramov) -0.3189531E+00 Hb(Abramov) -0.8333872E-01 Ex_ueg -0.6365993E-01 Ec_ueg -0.9027163E-02 Delta_ex -0.6651108E-01 Delta_ec 0.1548513E-01 Delta_et -0.2084113E+00 Pxc 0.7052042E+01 Qxc -0.4295157E+01 3,-1 106 3 +1 15.507811 17.663644 6.525923 Rho 0.1143888E-01 |GRAD(Rho)| 0.4195038E-12 GRAD(Rho)x -0.1413980E-12 GRAD(Rho)y 0.3922167E-12 GRAD(Rho)z 0.4643426E-13 Laplacian 0.5179440E-01 (-1/4)Del**2(Rho)) -0.1294860E-01 Diamond 0.1931595E-02 Metallicity 0.7726268E+00 Ellipticity -0.1336101E+01 Gb(Abramov) 0.1029981E-01 Vb(Abramov) -0.7651012E-02 Hb(Abramov) 0.2648794E-02 Ex_ueg -0.1903545E-02 Ec_ueg -0.4337283E-03 Delta_ex -0.2510347E-02 Delta_ec 0.6657238E-03 Delta_et -0.4938732E-02 Pxc 0.4388797E+01 Qxc -0.3770854E+01 3,+1 107 3 -1 16.944880 13.655970 7.429291 Rho 0.1762819E+00 |GRAD(Rho)| 0.4086002E-11 GRAD(Rho)x 0.1304270E-11 GRAD(Rho)y 0.2378627E-11 GRAD(Rho)z -0.3055557E-11 Laplacian 0.6477086E+00 (-1/4)Del**2(Rho)) -0.1619272E+00 Diamond 0.1616271E+01 Metallicity 0.5896304E+01 Ellipticity 0.5544450E-01 Gb(Abramov) 0.2670801E+00 Vb(Abramov) -0.3722330E+00 Hb(Abramov) -0.1051529E+00 Ex_ueg -0.7300100E-01 Ec_ueg -0.1014666E-01 Delta_ex -0.7258776E-01 Delta_ec 0.1609928E-01 Delta_et -0.2196161E+00 Pxc 0.7194583E+01 Qxc -0.4508758E+01 3,-1 108 3 -1 16.934569 13.595797 8.928507 Rho 0.2078910E+00 |GRAD(Rho)| 0.3636285E-12 GRAD(Rho)x 0.3456908E-12 GRAD(Rho)y -0.7128174E-13 GRAD(Rho)z 0.8742128E-13 Laplacian 0.8195452E+00 (-1/4)Del**2(Rho)) -0.2048863E+00 Diamond 0.2412386E+01 Metallicity 0.6134320E+01 Ellipticity 0.1017628E-01 Gb(Abramov) 0.3460639E+00 Vb(Abramov) -0.4872415E+00 Hb(Abramov) -0.1411776E+00 Ex_ueg -0.9095627E-01 Ec_ueg -0.1224782E-01 Delta_ex -0.9523291E-01 Delta_ec 0.1856499E-01 Delta_et -0.2541199E+00 Pxc 0.7426323E+01 Qxc -0.5129705E+01 3,-1 109 3 -1 10.239307 14.200619 5.103180 Rho 0.2065379E+00 |GRAD(Rho)| 0.8197842E-15 GRAD(Rho)x 0.3935895E-15 GRAD(Rho)y 0.2405065E-16 GRAD(Rho)z -0.7187176E-15 Laplacian 0.7892649E+00 (-1/4)Del**2(Rho)) -0.1973162E+00 Diamond 0.2327023E+01 Metallicity 0.6300718E+01 Ellipticity 0.1722512E-01 Gb(Abramov) 0.3387498E+00 Vb(Abramov) -0.4801834E+00 Hb(Abramov) -0.1414336E+00 Ex_ueg -0.9016780E-01 Ec_ueg -0.1215673E-01 Delta_ex -0.9170291E-01 Delta_ec 0.1816653E-01 Delta_et -0.2495012E+00 Pxc 0.7417111E+01 Qxc -0.5047906E+01 3,-1 110 3 -1 10.464430 13.979854 7.186266 Rho 0.7313494E-01 |GRAD(Rho)| 0.4583139E-15 GRAD(Rho)x -0.1787777E-15 GRAD(Rho)y 0.3490779E-15 GRAD(Rho)z -0.2371387E-15 Laplacian 0.2804340E+00 (-1/4)Del**2(Rho)) -0.7010850E-01 Diamond 0.2350569E+00 Metallicity 0.3142853E+01 Ellipticity 0.2334218E-01 Gb(Abramov) 0.8346245E-01 Vb(Abramov) -0.9681640E-01 Hb(Abramov) -0.1335395E-01 Ex_ueg -0.2258837E-01 Ec_ueg -0.3728844E-02 Delta_ex -0.2534928E-01 Delta_ec 0.8176239E-02 Delta_et -0.9480203E-01 Pxc 0.6057742E+01 Qxc -0.3100360E+01 3,-1 111 3 -1 10.661339 14.463427 10.411284 Rho 0.2076326E+00 |GRAD(Rho)| 0.8082658E-15 GRAD(Rho)x 0.6770300E-15 GRAD(Rho)y 0.4399963E-15 GRAD(Rho)z 0.3642919E-16 Laplacian 0.8071190E+00 (-1/4)Del**2(Rho)) -0.2017797E+00 Diamond 0.2392596E+01 Metallicity 0.6215865E+01 Ellipticity 0.7932929E-02 Gb(Abramov) 0.3435591E+00 Vb(Abramov) -0.4853385E+00 Hb(Abramov) -0.1417794E+00 Ex_ueg -0.9080558E-01 Ec_ueg -0.1223042E-01 Delta_ex -0.9389025E-01 Delta_ec 0.1852434E-01 Delta_et -0.2544154E+00 Pxc 0.7424569E+01 Qxc -0.5068480E+01 3,-1 112 3 -1 10.295858 15.150010 6.290597 Rho 0.1734670E+00 |GRAD(Rho)| 0.2641644E-13 GRAD(Rho)x -0.4975743E-14 GRAD(Rho)y -0.2473786E-13 GRAD(Rho)z -0.7817179E-14 Laplacian 0.7101739E+00 (-1/4)Del**2(Rho)) -0.1775435E+00 Diamond 0.1713437E+01 Metallicity 0.5235321E+01 Ellipticity 0.2974617E-01 Gb(Abramov) 0.2732785E+00 Vb(Abramov) -0.3690135E+00 Hb(Abramov) -0.9573503E-01 Ex_ueg -0.7145089E-01 Ec_ueg -0.9962303E-02 Delta_ex -0.7906545E-01 Delta_ec 0.1736236E-01 Delta_et -0.2353924E+00 Pxc 0.7172126E+01 Qxc -0.4553843E+01 3,-1 113 3 +1 12.056064 17.353634 8.994403 Rho 0.3246074E-01 |GRAD(Rho)| 0.2483503E-15 GRAD(Rho)x 0.2033955E-15 GRAD(Rho)y 0.1057517E-15 GRAD(Rho)z 0.9552323E-16 Laplacian 0.1076473E+00 (-1/4)Del**2(Rho)) -0.2691183E-01 Diamond 0.1339135E-01 Metallicity 0.2114499E+01 Ellipticity -0.2075244E+01 Gb(Abramov) 0.2742539E-01 Vb(Abramov) -0.2793895E-01 Hb(Abramov) -0.5135611E-03 Ex_ueg -0.7647679E-02 Ec_ueg -0.1471220E-02 Delta_ex -0.6662600E-02 Delta_ec 0.8978067E-03 Delta_et -0.8452583E-02 Pxc 0.5198189E+01 Qxc -0.7420973E+01 3,+1 114 3 -1 12.340344 17.897012 9.475064 Rho 0.5413324E-01 |GRAD(Rho)| 0.8027697E-15 GRAD(Rho)x 0.6419705E-15 GRAD(Rho)y -0.8695937E-16 GRAD(Rho)z 0.4740793E-15 Laplacian 0.2057643E+00 (-1/4)Del**2(Rho)) -0.5144108E-01 Diamond 0.1132909E+00 Metallicity 0.2594278E+01 Ellipticity 0.3987346E-01 Gb(Abramov) 0.5653612E-01 Vb(Abramov) -0.6163117E-01 Hb(Abramov) -0.5095049E-02 Ex_ueg -0.1512413E-01 Ec_ueg -0.2644586E-02 Delta_ex -0.1716728E-01 Delta_ec 0.5925858E-02 Delta_et -0.6371629E-01 Pxc 0.5718902E+01 Qxc -0.2897011E+01 3,-1 115 3 +1 14.699988 14.121700 6.522134 Rho 0.2970615E-01 |GRAD(Rho)| 0.8346608E-16 GRAD(Rho)x -0.4063161E-17 GRAD(Rho)y -0.1672870E-16 GRAD(Rho)z 0.8167146E-16 Laplacian 0.1185303E+00 (-1/4)Del**2(Rho)) -0.2963257E-01 Diamond 0.1879951E-01 Metallicity 0.1656512E+01 Ellipticity -0.3541813E+01 Gb(Abramov) 0.2793616E-01 Vb(Abramov) -0.2623975E-01 Hb(Abramov) 0.1696405E-02 Ex_ueg -0.6794856E-02 Ec_ueg -0.1328460E-02 Delta_ex -0.7647179E-02 Delta_ec 0.1878770E-02 Delta_et -0.1730109E-01 Pxc 0.5114836E+01 Qxc -0.4070312E+01 3,+1 116 3 -1 14.335046 13.716338 6.975686 Rho 0.4007076E-01 |GRAD(Rho)| 0.1425988E-15 GRAD(Rho)x 0.3827191E-16 GRAD(Rho)y -0.1272716E-15 GRAD(Rho)z -0.5168764E-16 Laplacian 0.1535406E+00 (-1/4)Del**2(Rho)) -0.3838516E-01 Diamond 0.5601618E-01 Metallicity 0.2105891E+01 Ellipticity 0.4731156E-01 Gb(Abramov) 0.3906259E-01 Vb(Abramov) -0.3974003E-01 Hb(Abramov) -0.6774377E-03 Ex_ueg -0.1012718E-01 Ec_ueg -0.1873862E-02 Delta_ex -0.1186652E-01 Delta_ec 0.4417823E-02 Delta_et -0.4390742E-01 Pxc 0.5404443E+01 Qxc -0.2686056E+01 3,-1 117 3 -1 13.889827 18.574854 7.338923 Rho 0.6623546E-01 |GRAD(Rho)| 0.3692136E-15 GRAD(Rho)x 0.1768181E-17 GRAD(Rho)y 0.4145379E-17 GRAD(Rho)z -0.3691861E-15 Laplacian 0.2524743E+00 (-1/4)Del**2(Rho)) -0.6311857E-01 Diamond 0.1845293E+00 Metallicity 0.2959468E+01 Ellipticity 0.1177955E-01 Gb(Abramov) 0.7321195E-01 Vb(Abramov) -0.8330532E-01 Hb(Abramov) -0.1009337E-01 Ex_ueg -0.1979274E-01 Ec_ueg -0.3330233E-02 Delta_ex -0.2223221E-01 Delta_ec 0.7345134E-02 Delta_et -0.8311732E-01 Pxc 0.5943348E+01 Qxc -0.3026795E+01 3,-1 118 3 -1 15.321124 14.887389 5.682413 Rho 0.9966019E-01 |GRAD(Rho)| 0.4875605E-13 GRAD(Rho)x 0.2004896E-13 GRAD(Rho)y -0.4397368E-13 GRAD(Rho)z -0.6442590E-14 Laplacian 0.3932151E+00 (-1/4)Del**2(Rho)) -0.9830376E-01 Diamond 0.4860083E+00 Metallicity 0.3754216E+01 Ellipticity 0.4705722E-01 Gb(Abramov) 0.1270448E+00 Vb(Abramov) -0.1557858E+00 Hb(Abramov) -0.2874100E-01 Ex_ueg -0.3412563E-01 Ec_ueg -0.5304472E-02 Delta_ex -0.3827167E-01 Delta_ec 0.1094116E-01 Delta_et -0.1357809E+00 Pxc 0.6433370E+01 Qxc -0.3497952E+01 3,-1 119 3 -1 15.327493 15.108065 6.980613 Rho 0.8191217E-01 |GRAD(Rho)| 0.6913870E-15 GRAD(Rho)x -0.1092351E-15 GRAD(Rho)y 0.4404182E-15 GRAD(Rho)z -0.5216469E-15 Laplacian 0.3021276E+00 (-1/4)Del**2(Rho)) -0.7553190E-01 Diamond 0.2965081E+00 Metallicity 0.3523737E+01 Ellipticity 0.5459204E-01 Gb(Abramov) 0.9471369E-01 Vb(Abramov) -0.1138955E+00 Hb(Abramov) -0.1918179E-01 Ex_ueg -0.2627340E-01 Ec_ueg -0.4243080E-02 Delta_ex -0.2815228E-01 Delta_ec 0.8842813E-02 Delta_et -0.1053775E+00 Pxc 0.6192059E+01 Qxc -0.3183634E+01 3,-1 120 3 -1 16.538930 14.912330 6.497151 Rho 0.6868553E-01 |GRAD(Rho)| 0.4952139E-14 GRAD(Rho)x -0.2930214E-14 GRAD(Rho)y 0.3679735E-14 GRAD(Rho)z -0.1548251E-14 Laplacian 0.2642773E+00 (-1/4)Del**2(Rho)) -0.6606932E-01 Diamond 0.2021501E+00 Metallicity 0.3003739E+01 Ellipticity 0.2549744E-01 Gb(Abramov) 0.7712203E-01 Vb(Abramov) -0.8817475E-01 Hb(Abramov) -0.1105272E-01 Ex_ueg -0.2077489E-01 Ec_ueg -0.3471185E-02 Delta_ex -0.2346866E-01 Delta_ec 0.7646609E-02 Delta_et -0.8727915E-01 Pxc 0.5984956E+01 Qxc -0.3069159E+01 3,-1 121 3 -1 16.367137 15.902837 5.402690 Rho 0.2059508E+00 |GRAD(Rho)| 0.3161058E-13 GRAD(Rho)x 0.1781149E-13 GRAD(Rho)y -0.2088823E-13 GRAD(Rho)z 0.1567361E-13 Laplacian 0.7793693E+00 (-1/4)Del**2(Rho)) -0.1948423E+00 Diamond 0.2298187E+01 Metallicity 0.6350515E+01 Ellipticity 0.7124086E-02 Gb(Abramov) 0.3361198E+00 Vb(Abramov) -0.4773972E+00 Hb(Abramov) -0.1412774E+00 Ex_ueg -0.8982619E-01 Ec_ueg -0.1211723E-01 Delta_ex -0.9054049E-01 Delta_ec 0.1804842E-01 Delta_et -0.2481751E+00 Pxc 0.7413095E+01 Qxc -0.5016534E+01 3,-1 122 3 -1 9.874838 11.348094 8.248582 Rho 0.2111874E+00 |GRAD(Rho)| 0.4183568E-11 GRAD(Rho)x -0.3949145E-11 GRAD(Rho)y -0.2644360E-12 GRAD(Rho)z 0.1355202E-11 Laplacian 0.8106365E+00 (-1/4)Del**2(Rho)) -0.2026591E+00 Diamond 0.2453055E+01 Metallicity 0.6366496E+01 Ellipticity 0.1046009E-01 Gb(Abramov) 0.3501442E+00 Vb(Abramov) -0.4976292E+00 Hb(Abramov) -0.1474850E+00 Ex_ueg -0.9288433E-01 Ec_ueg -0.1247017E-01 Delta_ex -0.9471507E-01 Delta_ec 0.1852233E-01 Delta_et -0.2546982E+00 Pxc 0.7448523E+01 Qxc -0.5113561E+01 3,-1 123 3 -1 10.735069 12.630522 8.088027 Rho 0.4901343E-01 |GRAD(Rho)| 0.1292056E-15 GRAD(Rho)x 0.5509338E-16 GRAD(Rho)y 0.1168160E-15 GRAD(Rho)z -0.3582420E-17 Laplacian 0.1778111E+00 (-1/4)Del**2(Rho)) -0.4445279E-01 Diamond 0.8522871E-01 Metallicity 0.2543974E+01 Ellipticity 0.2052259E-01 Gb(Abramov) 0.4848298E-01 Vb(Abramov) -0.5251317E-01 Hb(Abramov) -0.4030192E-02 Ex_ueg -0.1324764E-01 Ec_ueg -0.2360413E-02 Delta_ex -0.1445225E-01 Delta_ec 0.5101345E-02 Delta_et -0.5346018E-01 Pxc 0.5612425E+01 Qxc -0.2833027E+01 3,-1 124 3 +1 10.587737 12.925432 7.277518 Rho 0.3058211E-01 |GRAD(Rho)| 0.4551468E-16 GRAD(Rho)x 0.4225947E-16 GRAD(Rho)y 0.4151237E-17 GRAD(Rho)z -0.1638569E-16 Laplacian 0.1186392E+00 (-1/4)Del**2(Rho)) -0.2965980E-01 Diamond 0.1959346E-01 Metallicity 0.1737124E+01 Ellipticity -0.4240566E+01 Gb(Abramov) 0.2836032E-01 Vb(Abramov) -0.2706085E-01 Hb(Abramov) 0.1299475E-02 Ex_ueg -0.7063311E-02 Ec_ueg -0.1373672E-02 Delta_ex -0.7715667E-02 Delta_ec 0.1881443E-02 Delta_et -0.1744166E-01 Pxc 0.5141919E+01 Qxc -0.4100930E+01 3,+1 125 3 -1 11.339119 14.101299 6.073573 Rho 0.9367704E-01 |GRAD(Rho)| 0.1248287E-15 GRAD(Rho)x -0.6857579E-16 GRAD(Rho)y -0.1225572E-16 GRAD(Rho)z 0.1035827E-15 Laplacian 0.3849290E+00 (-1/4)Del**2(Rho)) -0.9623225E-01 Diamond 0.4465166E+00 Metallicity 0.3459031E+01 Ellipticity 0.1159450E-01 Gb(Abramov) 0.1196332E+00 Vb(Abramov) -0.1430342E+00 Hb(Abramov) -0.2340097E-01 Ex_ueg -0.3142167E-01 Ec_ueg -0.4943648E-02 Delta_ex -0.3702453E-01 Delta_ec 0.1102346E-01 Delta_et -0.1352823E+00 Pxc 0.6355968E+01 Qxc -0.3358704E+01 3,-1 126 3 -1 12.061861 14.163436 9.891056 Rho 0.1988996E+00 |GRAD(Rho)| 0.2894533E-14 GRAD(Rho)x 0.2384323E-14 GRAD(Rho)y -0.1633188E-14 GRAD(Rho)z 0.1613157E-15 Laplacian 0.8015675E+00 (-1/4)Del**2(Rho)) -0.2003919E+00 Diamond 0.2244805E+01 Metallicity 0.5826348E+01 Ellipticity 0.2033448E-01 Gb(Abramov) 0.3281867E+00 Vb(Abramov) -0.4559816E+00 Hb(Abramov) -0.1277948E+00 Ex_ueg -0.8574927E-01 Ec_ueg -0.1164441E-01 Delta_ex -0.9214328E-01 Delta_ec 0.1847386E-01 Delta_et -0.2524193E+00 Pxc 0.7363983E+01 Qxc -0.4987765E+01 3,-1 127 3 +1 12.161525 16.154977 9.688203 Rho 0.4248207E-01 |GRAD(Rho)| 0.1736994E-15 GRAD(Rho)x -0.1324852E-16 GRAD(Rho)y 0.3309748E-16 GRAD(Rho)z 0.1700015E-15 Laplacian 0.1646822E+00 (-1/4)Del**2(Rho)) -0.4117054E-01 Diamond 0.3711802E-01 Metallicity 0.2164259E+01 Ellipticity -0.3754617E+01 Gb(Abramov) 0.4229765E-01 Vb(Abramov) -0.4342476E-01 Hb(Abramov) -0.1127107E-02 Ex_ueg -0.1094778E-01 Ec_ueg -0.2003731E-02 Delta_ex -0.1141892E-01 Delta_ec 0.2065317E-02 Delta_et -0.2041430E-01 Pxc 0.5463695E+01 Qxc -0.5528895E+01 3,+1 128 3 -1 12.751526 18.470506 6.439044 Rho 0.1539899E+00 |GRAD(Rho)| 0.1385951E-14 GRAD(Rho)x -0.3221707E-15 GRAD(Rho)y 0.1345861E-14 GRAD(Rho)z -0.7567054E-16 Laplacian 0.6379841E+00 (-1/4)Del**2(Rho)) -0.1594960E+00 Diamond 0.1336800E+01 Metallicity 0.4778488E+01 Ellipticity 0.2026450E-01 Gb(Abramov) 0.2333557E+00 Vb(Abramov) -0.3072153E+00 Hb(Abramov) -0.7385964E-01 Ex_ueg -0.6095952E-01 Ec_ueg -0.8699415E-02 Delta_ex -0.6898196E-01 Delta_ec 0.1612463E-01 Delta_et -0.2155264E+00 Pxc 0.7007312E+01 Qxc -0.4278051E+01 3,-1 129 3 -1 11.796983 15.475886 9.077131 Rho 0.9935908E-01 |GRAD(Rho)| 0.4887897E-12 GRAD(Rho)x -0.1899960E-12 GRAD(Rho)y -0.3540701E-12 GRAD(Rho)z 0.2783007E-12 Laplacian 0.3619276E+00 (-1/4)Del**2(Rho)) -0.9048191E-01 Diamond 0.4413030E+00 Metallicity 0.4058236E+01 Ellipticity 0.2354607E-01 Gb(Abramov) 0.1215208E+00 Vb(Abramov) -0.1525596E+00 Hb(Abramov) -0.3103886E-01 Ex_ueg -0.3398822E-01 Ec_ueg -0.5286243E-02 Delta_ex -0.3512567E-01 Delta_ec 0.9941656E-02 Delta_et -0.1231383E+00 Pxc 0.6429560E+01 Qxc -0.3533181E+01 3,-1 130 3 -1 12.759291 16.675447 9.100378 Rho 0.1114049E+00 |GRAD(Rho)| 0.2779055E-15 GRAD(Rho)x 0.2224783E-15 GRAD(Rho)y -0.1665335E-15 GRAD(Rho)z -0.1219727E-17 Laplacian 0.4081901E+00 (-1/4)Del**2(Rho)) -0.1020475E+00 Diamond 0.5760098E+00 Metallicity 0.4354359E+01 Ellipticity 0.2891772E-01 Gb(Abramov) 0.1420903E+00 Vb(Abramov) -0.1821330E+00 Hb(Abramov) -0.4004275E-01 Ex_ueg -0.3959046E-01 Ec_ueg -0.6020951E-02 Delta_ex -0.4076657E-01 Delta_ec 0.1105085E-01 Delta_et -0.1400584E+00 Pxc 0.6575450E+01 Qxc -0.3689000E+01 3,-1 131 3 -1 12.600340 16.723856 10.360535 Rho 0.1124947E+00 |GRAD(Rho)| 0.8872092E-15 GRAD(Rho)x -0.6284036E-15 GRAD(Rho)y -0.3247999E-15 GRAD(Rho)z 0.5354942E-15 Laplacian 0.4055526E+00 (-1/4)Del**2(Rho)) -0.1013881E+00 Diamond 0.5840246E+00 Metallicity 0.4454371E+01 Ellipticity 0.5586168E-01 Gb(Abramov) 0.1428622E+00 Vb(Abramov) -0.1843362E+00 Hb(Abramov) -0.4147402E-01 Ex_ueg -0.4010773E-01 Ec_ueg -0.6087965E-02 Delta_ex -0.4066953E-01 Delta_ec 0.1108524E-01 Delta_et -0.1409392E+00 Pxc 0.6588035E+01 Qxc -0.3668801E+01 3,-1 132 3 -1 14.018698 16.630359 9.942132 Rho 0.2309641E+00 |GRAD(Rho)| 0.2214119E-14 GRAD(Rho)x 0.1472292E-14 GRAD(Rho)y -0.1643922E-14 GRAD(Rho)z 0.1794490E-15 Laplacian 0.8635144E+00 (-1/4)Del**2(Rho)) -0.2158786E+00 Diamond 0.2924208E+01 Metallicity 0.6938268E+01 Ellipticity 0.3020995E-01 Gb(Abramov) 0.3935563E+00 Vb(Abramov) -0.5712341E+00 Hb(Abramov) -0.1776777E+00 Ex_ueg -0.1046593E+00 Ec_ueg -0.1381672E-01 Delta_ex -0.1033369E+00 Delta_ec 0.1937252E-01 Delta_et -0.2682786E+00 Pxc 0.7574825E+01 Qxc -0.5334200E+01 3,-1 133 3 -1 16.142508 19.813412 8.562615 Rho 0.2061992E+00 |GRAD(Rho)| 0.2828959E-14 GRAD(Rho)x 0.3727894E-15 GRAD(Rho)y -0.2778648E-14 GRAD(Rho)z -0.3783595E-15 Laplacian 0.7781198E+00 (-1/4)Del**2(Rho)) -0.1945300E+00 Diamond 0.2300021E+01 Metallicity 0.6373506E+01 Ellipticity 0.9954762E-02 Gb(Abramov) 0.3363263E+00 Vb(Abramov) -0.4781226E+00 Hb(Abramov) -0.1417963E+00 Ex_ueg -0.8997070E-01 Ec_ueg -0.1213394E-01 Delta_ex -0.9043756E-01 Delta_ec 0.1803895E-01 Delta_et -0.2481591E+00 Pxc 0.7414796E+01 Qxc -0.5013459E+01 3,-1 134 3 -1 10.965393 14.240819 8.919076 Rho 0.1492058E+00 |GRAD(Rho)| 0.6023437E-15 GRAD(Rho)x 0.4177634E-15 GRAD(Rho)y -0.6578397E-16 GRAD(Rho)z 0.4289104E-15 Laplacian 0.5975768E+00 (-1/4)Del**2(Rho)) -0.1493942E+00 Diamond 0.1200557E+01 Metallicity 0.4840187E+01 Ellipticity 0.5921732E-01 Gb(Abramov) 0.2201121E+00 Vb(Abramov) -0.2908300E+00 Hb(Abramov) -0.7071791E-01 Ex_ueg -0.5844749E-01 Ec_ueg -0.8392691E-02 Delta_ex -0.6406302E-01 Delta_ec 0.1513291E-01 Delta_et -0.2011876E+00 Pxc 0.6964094E+01 Qxc -0.4233358E+01 3,-1 135 3 -1 11.646307 15.537826 10.339001 Rho 0.1339865E+00 |GRAD(Rho)| 0.3929263E-14 GRAD(Rho)x -0.3181435E-14 GRAD(Rho)y 0.1845583E-15 GRAD(Rho)z -0.2298590E-14 Laplacian 0.4911486E+00 (-1/4)Del**2(Rho)) -0.1227872E+00 Diamond 0.8751410E+00 Metallicity 0.4922306E+01 Ellipticity 0.8198652E-01 Gb(Abramov) 0.1825908E+00 Vb(Abramov) -0.2423944E+00 Hb(Abramov) -0.5980360E-01 Ex_ueg -0.5063682E-01 Ec_ueg -0.7426440E-02 Delta_ex -0.5138198E-01 Delta_ec 0.1293554E-01 Delta_et -0.1695785E+00 Pxc 0.6818451E+01 Qxc -0.3972155E+01 3,-1 136 3 -1 12.464844 11.450877 9.750417 Rho 0.1266371E+00 |GRAD(Rho)| 0.2518558E-15 GRAD(Rho)x -0.1761829E-15 GRAD(Rho)y -0.1788595E-16 GRAD(Rho)z 0.1790839E-15 Laplacian 0.4821774E+00 (-1/4)Del**2(Rho)) -0.1205443E+00 Diamond 0.8124691E+00 Metallicity 0.4563952E+01 Ellipticity 0.3758150E-01 Gb(Abramov) 0.1720560E+00 Vb(Abramov) -0.2235676E+00 Hb(Abramov) -0.5151164E-01 Ex_ueg -0.4696772E-01 Ec_ueg -0.6965184E-02 Delta_ex -0.4988341E-01 Delta_ec 0.1308535E-01 Delta_et -0.1703425E+00 Pxc 0.6743213E+01 Qxc -0.3812158E+01 3,-1 137 3 -1 13.420048 17.899345 10.533098 Rho 0.2036291E+00 |GRAD(Rho)| 0.1459038E-14 GRAD(Rho)x 0.3687101E-15 GRAD(Rho)y -0.2503965E-15 GRAD(Rho)z 0.1389297E-14 Laplacian 0.7913334E+00 (-1/4)Del**2(Rho)) -0.1978334E+00 Diamond 0.2290964E+01 Metallicity 0.6137433E+01 Ellipticity 0.1348005E-01 Gb(Abramov) 0.3342537E+00 Vb(Abramov) -0.4706741E+00 Hb(Abramov) -0.1364204E+00 Ex_ueg -0.8847860E-01 Ec_ueg -0.1196124E-01 Delta_ex -0.9159141E-01 Delta_ec 0.1825384E-01 Delta_et -0.2503279E+00 Pxc 0.7397106E+01 Qxc -0.5017652E+01 3,-1 138 3 -1 14.644230 12.474949 6.556424 Rho 0.1436399E+00 |GRAD(Rho)| 0.1468302E-12 GRAD(Rho)x -0.1192990E-12 GRAD(Rho)y 0.6104602E-13 GRAD(Rho)z -0.6000205E-13 Laplacian 0.5693761E+00 (-1/4)Del**2(Rho)) -0.1423440E+00 Diamond 0.1092810E+01 Metallicity 0.4768031E+01 Ellipticity 0.3833540E-01 Gb(Abramov) 0.2080128E+00 Vb(Abramov) -0.2736816E+00 Hb(Abramov) -0.6566879E-01 Ex_ueg -0.5555868E-01 Ec_ueg -0.8037628E-02 Delta_ex -0.6047314E-01 Delta_ec 0.1455424E-01 Delta_et -0.1924479E+00 Pxc 0.6912323E+01 Qxc -0.4155018E+01 3,-1 139 3 -1 16.175881 16.340741 6.848074 Rho 0.1944084E+00 |GRAD(Rho)| 0.7264296E-15 GRAD(Rho)x -0.2024748E-15 GRAD(Rho)y -0.4019137E-15 GRAD(Rho)z -0.5702361E-15 Laplacian 0.7887048E+00 (-1/4)Del**2(Rho)) -0.1971762E+00 Diamond 0.2156178E+01 Metallicity 0.5700205E+01 Ellipticity 0.3384870E-01 Gb(Abramov) 0.3187749E+00 Vb(Abramov) -0.4403737E+00 Hb(Abramov) -0.1215987E+00 Ex_ueg -0.8317737E-01 Ec_ueg -0.1134470E-01 Delta_ex -0.9018779E-01 Delta_ec 0.1838225E-01 Delta_et -0.2510226E+00 Pxc 0.7331825E+01 Qxc -0.4906242E+01 3,-1 140 3 -1 10.377560 13.119612 6.161910 Rho 0.1114861E+00 |GRAD(Rho)| 0.8391696E-13 GRAD(Rho)x -0.7148903E-13 GRAD(Rho)y 0.4354728E-13 GRAD(Rho)z 0.5916934E-14 Laplacian 0.4341693E+00 (-1/4)Del**2(Rho)) -0.1085423E+00 Diamond 0.6257358E+00 Metallicity 0.4098786E+01 Ellipticity 0.2092611E-01 Gb(Abramov) 0.1465102E+00 Vb(Abramov) -0.1844780E+00 Hb(Abramov) -0.3796785E-01 Ex_ueg -0.3962896E-01 Ec_ueg -0.6025943E-02 Delta_ex -0.4355399E-01 Delta_ec 0.1208317E-01 Delta_et -0.1536497E+00 Pxc 0.6576391E+01 Qxc -0.3604518E+01 3,-1 141 3 -1 11.348531 17.769494 7.216672 Rho 0.1205967E+00 |GRAD(Rho)| 0.6167487E-14 GRAD(Rho)x -0.4358967E-14 GRAD(Rho)y -0.1571771E-14 GRAD(Rho)z 0.4070237E-14 Laplacian 0.4942039E+00 (-1/4)Del**2(Rho)) -0.1235510E+00 Diamond 0.7837238E+00 Metallicity 0.4104556E+01 Ellipticity 0.1187221E-01 Gb(Abramov) 0.1668876E+00 Vb(Abramov) -0.2102243E+00 Hb(Abramov) -0.4333665E-01 Ex_ueg -0.4400470E-01 Ec_ueg -0.6588807E-02 Delta_ex -0.5051638E-01 Delta_ec 0.1352958E-01 Delta_et -0.1745678E+00 Pxc 0.6678706E+01 Qxc -0.3733772E+01 3,-1 142 3 -1 14.380268 13.559073 5.677923 Rho 0.1548810E+00 |GRAD(Rho)| 0.3070068E-15 GRAD(Rho)x -0.3012727E-15 GRAD(Rho)y -0.5239407E-16 GRAD(Rho)z 0.2725413E-16 Laplacian 0.5830641E+00 (-1/4)Del**2(Rho)) -0.1457660E+00 Diamond 0.1238727E+01 Metallicity 0.5279109E+01 Ellipticity 0.4181129E-01 Gb(Abramov) 0.2254298E+00 Vb(Abramov) -0.3050936E+00 Hb(Abramov) -0.7966379E-01 Ex_ueg -0.6143032E-01 Ec_ueg -0.8756700E-02 Delta_ex -0.6321473E-01 Delta_ec 0.1486028E-01 Delta_et -0.1991307E+00 Pxc 0.7015236E+01 Qxc -0.4253938E+01 3,-1 143 3 -1 15.916132 19.042806 7.313753 Rho 0.1047582E+00 |GRAD(Rho)| 0.4430463E-15 GRAD(Rho)x 0.2287328E-16 GRAD(Rho)y 0.1685104E-15 GRAD(Rho)z -0.4091101E-15 Laplacian 0.4169829E+00 (-1/4)Del**2(Rho)) -0.1042457E+00 Diamond 0.5515205E+00 Metallicity 0.3847173E+01 Ellipticity 0.3147809E-01 Gb(Abramov) 0.1363390E+00 Vb(Abramov) -0.1684323E+00 Hb(Abramov) -0.3209331E-01 Ex_ueg -0.3647280E-01 Ec_ueg -0.5614178E-02 Delta_ex -0.4112810E-01 Delta_ec 0.1159449E-01 Delta_et -0.1454571E+00 Pxc 0.6496553E+01 Qxc -0.3547211E+01 3,-1 144 3 -1 15.027469 16.314963 5.996447 Rho 0.2053223E+00 |GRAD(Rho)| 0.5550548E-15 GRAD(Rho)x -0.2263814E-15 GRAD(Rho)y -0.4920652E-15 GRAD(Rho)z 0.1212816E-15 Laplacian 0.8107429E+00 (-1/4)Del**2(Rho)) -0.2026857E+00 Diamond 0.2373546E+01 Metallicity 0.6073751E+01 Ellipticity 0.3829236E-01 Gb(Abramov) 0.3403009E+00 Vb(Abramov) -0.4779161E+00 Hb(Abramov) -0.1376152E+00 Ex_ueg -0.8946091E-01 Ec_ueg -0.1207498E-01 Delta_ex -0.9405648E-01 Delta_ec 0.1869271E-01 Delta_et -0.2566237E+00 Pxc 0.7408784E+01 Qxc -0.5031721E+01 3,-1 145 3 -1 17.264026 12.346228 8.171597 Rho 0.2048529E+00 |GRAD(Rho)| 0.2762173E-08 GRAD(Rho)x 0.1821420E-08 GRAD(Rho)y -0.2076529E-08 GRAD(Rho)z -0.7661150E-11 Laplacian 0.7816184E+00 (-1/4)Del**2(Rho)) -0.1954046E+00 Diamond 0.2285478E+01 Metallicity 0.6276084E+01 Ellipticity 0.1922320E-01 Gb(Abramov) 0.3346657E+00 Vb(Abramov) -0.4739268E+00 Hb(Abramov) -0.1392611E+00 Ex_ueg -0.8918832E-01 Ec_ueg -0.1204343E-01 Delta_ex -0.9064736E-01 Delta_ec 0.1807354E-01 Delta_et -0.2482296E+00 Pxc 0.7405556E+01 Qxc -0.5015473E+01 3,-1 146 3 -1 17.285299 19.066325 7.951676 Rho 0.2028429E+00 |GRAD(Rho)| 0.3873287E-13 GRAD(Rho)x 0.1107025E-13 GRAD(Rho)y 0.9694773E-14 GRAD(Rho)z -0.3582871E-13 Laplacian 0.7567820E+00 (-1/4)Del**2(Rho)) -0.1891955E+00 Diamond 0.2200826E+01 Metallicity 0.6376398E+01 Ellipticity 0.3521590E-02 Gb(Abramov) 0.3271946E+00 Vb(Abramov) -0.4651938E+00 Hb(Abramov) -0.1379991E+00 Ex_ueg -0.8802340E-01 Ec_ueg -0.1190849E-01 Delta_ex -0.8763913E-01 Delta_ec 0.1771405E-01 Delta_et -0.2437054E+00 Pxc 0.7391652E+01 Qxc -0.4947436E+01 3,-1 147 3 -1 13.580545 19.004911 5.283707 Rho 0.2066180E+00 |GRAD(Rho)| 0.1370806E-10 GRAD(Rho)x 0.8118780E-12 GRAD(Rho)y -0.1058517E-11 GRAD(Rho)z 0.1364300E-10 Laplacian 0.7826905E+00 (-1/4)Del**2(Rho)) -0.1956726E+00 Diamond 0.2312259E+01 Metallicity 0.6357748E+01 Ellipticity 0.1337333E-01 Gb(Abramov) 0.3377880E+00 Vb(Abramov) -0.4799033E+00 Hb(Abramov) -0.1421153E+00 Ex_ueg -0.9021441E-01 Ec_ueg -0.1216211E-01 Delta_ex -0.9097113E-01 Delta_ec 0.1805439E-01 Delta_et -0.2481178E+00 Pxc 0.7417658E+01 Qxc -0.5038726E+01 3,-1 148 3 -1 13.371950 19.815500 6.510356 Rho 0.2128624E+00 |GRAD(Rho)| 0.2574395E-13 GRAD(Rho)x 0.6405277E-14 GRAD(Rho)y -0.2404094E-13 GRAD(Rho)z -0.6614880E-14 Laplacian 0.8020370E+00 (-1/4)Del**2(Rho)) -0.2005093E+00 Diamond 0.2460424E+01 Metallicity 0.6520042E+01 Ellipticity 0.1202221E-02 Gb(Abramov) 0.3515610E+00 Vb(Abramov) -0.5026127E+00 Hb(Abramov) -0.1510517E+00 Ex_ueg -0.9386789E-01 Ec_ueg -0.1258338E-01 Delta_ex -0.9396505E-01 Delta_ec 0.1839923E-01 Delta_et -0.2535666E+00 Pxc 0.7459673E+01 Qxc -0.5107010E+01 3,-1 149 3 -1 10.485087 16.668671 7.152700 Rho 0.1001824E+00 |GRAD(Rho)| 0.2385576E-12 GRAD(Rho)x -0.4354771E-13 GRAD(Rho)y -0.1424439E-12 GRAD(Rho)z -0.1863412E-12 Laplacian 0.4127512E+00 (-1/4)Del**2(Rho)) -0.1031878E+00 Diamond 0.5239994E+00 Metallicity 0.3607812E+01 Ellipticity 0.4446208E-02 Gb(Abramov) 0.1308389E+00 Vb(Abramov) -0.1584900E+00 Hb(Abramov) -0.2765110E-01 Ex_ueg -0.3436426E-01 Ec_ueg -0.5336103E-02 Delta_ex -0.4040325E-01 Delta_ec 0.1179498E-01 Delta_et -0.1469262E+00 Pxc 0.6439955E+01 Qxc -0.3425460E+01 3,-1 150 3 -1 16.543775 18.508772 9.148916 Rho 0.2119290E+00 |GRAD(Rho)| 0.1288106E-14 GRAD(Rho)x 0.6125607E-15 GRAD(Rho)y -0.9578384E-15 GRAD(Rho)z -0.6054185E-15 Laplacian 0.8200226E+00 (-1/4)Del**2(Rho)) -0.2050057E+00 Diamond 0.2481944E+01 Metallicity 0.6330497E+01 Ellipticity 0.4901996E-02 Gb(Abramov) 0.3529684E+00 Vb(Abramov) -0.5009311E+00 Hb(Abramov) -0.1479627E+00 Ex_ueg -0.9331944E-01 Ec_ueg -0.1252027E-01 Delta_ex -0.9583546E-01 Delta_ec 0.1860623E-01 Delta_et -0.2554872E+00 Pxc 0.7453470E+01 Qxc -0.5150717E+01 3,-1 151 3 -1 14.647392 14.859457 8.335973 Rho 0.3200376E+00 |GRAD(Rho)| 0.1440596E-14 GRAD(Rho)x 0.5849459E-15 GRAD(Rho)y 0.1213579E-14 GRAD(Rho)z -0.5102751E-15 Laplacian -0.1679082E+01 (-1/4)Del**2(Rho)) 0.4197706E+00 Diamond 0.5877325E+01 Metallicity -0.6145295E+01 Ellipticity 0.2101307E-02 Gb(Abramov) 0.1500886E+00 Vb(Abramov) -0.7199478E+00 Hb(Abramov) -0.5698592E+00 Ex_ueg -0.1616788E+00 Ec_ueg -0.2014776E-01 Delta_ex 0.1671852E+00 Delta_ec 0.5863586E-01 Delta_et -0.1391760E+01 Pxc 0.8024652E+01 Qxc 0.2851244E+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 72 110 95 140 125 112 109 123 122 58 60 59 57 136 68 65 67 70 81 134 111 96 129 135 126 71 93 100 149 56 141 53 97 99 130 114 131 137 76 132 128 69 92 146 143 84 150 133 105 75 148 117 147 139 144 121 120 119 118 73 79 80 104 108 145 88 107 89 87 116 138 142 151 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 10 13 13 16 16 16 16 16 16 17 17 17 17 17 17 20 26 27 27 27 27 27 27 28 28 28 28 28 29 29 29 29 29 29 37 38 39 39 43 43 43 43 43 43 44 44 44 49 5 11 12 13 18 40 5 6 7 10 12 14 7 9 10 15 37 47 5 8 21 22 24 37 44 22 44 18 19 20 21 22 23 22 23 24 25 36 39 28 44 30 31 32 36 38 41 32 33 35 36 42 30 33 34 48 49 51 49 39 45 52 45 46 47 48 49 50 49 50 51 52 2.218443 1.802518 2.043800 2.104130 1.858463 1.800558 2.390008 1.791514 1.940761 2.209362 1.895417 1.784993 1.997071 1.789477 2.191942 1.802227 2.233911 1.868383 1.924587 1.797794 2.237438 2.108801 1.982648 1.807643 2.012754 3.177690 1.850632 2.076645 1.804840 2.003577 1.866705 2.153933 1.837821 2.060812 2.347019 2.054399 1.805416 1.933279 1.758447 1.904139 1.775070 2.250527 1.808207 2.069798 2.333269 1.790035 1.801294 1.904659 2.297888 1.788797 2.258786 1.800616 1.817871 1.797825 1.802235 2.244514 2.183935 2.090735 3.280283 2.950171 3.347066 1.911189 1.797472 1.803504 2.061566 1.867175 2.279960 2.052508 2.467833 1.945340 1.917274 0.993651 2.218636 1.802595 2.044149 2.104416 1.858914 1.800586 2.390513 1.791553 1.941201 2.210036 1.895866 1.785007 1.997498 1.789495 2.192298 1.802273 2.234077 1.869029 1.924839 1.797918 2.237665 2.109092 1.982932 1.807946 2.012911 3.182646 1.851035 2.076795 1.804862 2.003856 1.866873 2.154008 1.837893 2.061205 2.347427 2.054610 1.805586 1.933470 1.758464 1.904709 1.775088 2.250875 1.808227 2.070185 2.333616 1.790151 1.801311 1.905021 2.298131 1.788803 2.259113 1.800638 1.818234 1.798065 1.802315 2.244808 2.184699 2.091157 3.564615 2.967961 3.353674 1.916590 1.797622 1.803523 2.061812 1.867382 2.280435 2.052845 2.469232 1.945836 1.917699 0.993668 25 25 24 25 22 23 27 24 23 25 23 22 23 22 25 23 27 25 23 22 25 25 23 24 24 35 22 25 22 25 22 25 22 25 27 25 23 29 24 24 22 26 23 25 27 23 23 23 29 23 26 22 23 22 23 26 26 26 38 33 37 25 23 22 25 22 27 25 27 23 25 17 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 W W W W O O O O O O O O O O O W W O O O O O O O O O W W W O O O O O O O O O O O O O W W O O O O O O O H 2.3846 2.3138 2.3644 2.4533 -1.0836 -0.9389 -1.0421 -0.9685 -0.9362 -1.1210 -0.9542 -1.0349 -0.9419 -0.9331 -0.9618 2.3563 2.3338 -0.9947 -0.9607 -1.0022 -0.9905 -1.0835 -0.9666 -1.0352 -0.9835 -0.9337 2.1861 2.3355 2.4317 -0.9362 -0.9820 -1.0460 -0.9094 -0.9804 -0.9411 -1.1057 -0.9325 -0.9284 -0.8375 -0.9634 -0.9672 -0.9654 2.2791 2.4569 -0.9278 -0.9667 -0.9888 -1.0116 -0.9841 -1.0369 -1.0380 0.4205 2.1274 2.1556 2.1389 2.1366 1.9360 1.9386 1.9347 1.9402 1.9373 1.9296 1.9346 1.9355 1.9397 1.9395 1.9370 2.1254 2.1660 1.9311 1.9351 1.9287 1.9364 1.9483 1.9400 1.9286 1.9370 1.9439 2.1776 2.1449 2.1304 1.9427 1.9330 1.9336 1.9474 1.9380 1.9365 1.9361 1.9447 1.9422 1.9643 1.9362 1.9331 1.9363 2.1465 2.1265 1.9377 1.9336 1.9284 1.9343 1.8569 1.9303 1.9311 0.4521 6.0792 6.0998 6.0846 6.0782 5.1210 4.9734 5.0754 5.0024 4.9716 5.1648 4.9939 5.0669 4.9721 4.9656 4.9987 6.0943 6.1009 5.0346 5.0000 5.0455 5.0251 5.0988 4.9970 5.0781 5.0217 4.9606 6.1292 6.0933 6.0784 4.9636 5.0238 5.0826 4.9301 5.0169 4.9773 5.1437 4.9561 4.9579 4.8372 5.0010 5.0082 5.0028 6.1054 6.0854 4.9633 5.0073 5.0315 5.0497 5.0935 5.0794 5.0790 0.1274 3.3787 3.4016 3.3823 3.3021 0.0266 0.0270 0.0320 0.0258 0.0273 0.0266 0.0257 0.0325 0.0300 0.0279 0.0261 3.3928 3.3703 0.0290 0.0256 0.0280 0.0289 0.0363 0.0296 0.0286 0.0249 0.0291 3.4783 3.3969 3.3301 0.0299 0.0252 0.0298 0.0318 0.0254 0.0273 0.0259 0.0317 0.0283 0.0361 0.0262 0.0259 0.0263 3.4391 3.3016 0.0268 0.0258 0.0289 0.0275 0.0337 0.0271 0.0279 0.0000 14.0302 14.0292 14.0297 14.0298 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 14.0313 14.0290 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 14.0288 14.0294 14.0294 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 14.0299 14.0296 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 W W W W O O O O O O O O O O O W W O O O O O O O O O W W W O O O O O O O O O O O O O W W O O O O O O O H 2.507859 2.459277 2.496298 2.485118 -1.019053 -1.010408 -1.036001 -1.029379 -1.008368 -1.042901 -1.028654 -1.026693 -0.956086 -1.001870 -1.032699 2.493375 2.458407 -1.001622 -1.043974 -1.008681 -1.043840 -1.002186 -1.026937 -1.085394 -1.050532 -0.986763 2.451812 2.489698 2.485530 -0.960632 -1.065724 -1.048349 -0.936648 -1.047456 -1.012665 -1.026040 -0.940814 -1.003981 -0.830595 -1.033748 -1.047477 -1.037293 2.472374 2.496591 -1.000687 -1.055971 -1.000371 -1.054276 -0.694648 -1.063543 -1.055145 0.061769 1.938999 1.924181 1.937564 1.899235 -0.646648 -0.953852 -0.852219 -0.986799 -0.952978 -0.623028 -0.981370 -0.840577 -0.672667 -0.940380 -0.987833 1.913427 1.928544 -0.779870 -0.989859 -0.753054 -0.930397 -0.520861 -0.923142 -0.965365 -1.012925 -0.935606 1.958232 1.944160 1.930152 -0.708225 -1.019465 -0.870438 -0.706426 -0.998625 -0.956449 -0.625201 -0.691059 -0.937645 -0.719148 -0.984257 -0.992389 -0.994133 1.936191 1.919019 -0.938612 -1.000494 -0.749037 -0.925561 -0.708102 -0.891998 -0.907743 0.344734 2.047416 2.007830 2.046241 1.958445 -0.724803 -0.931772 -0.922987 -0.937134 -0.943754 -0.707839 -0.969090 -0.906110 -0.739492 -0.920824 -0.966789 2.017904 1.974373 -0.860994 -0.967255 -0.840635 -0.948619 -0.594076 -0.932877 -1.025158 -0.975130 -0.894523 2.046448 2.047114 2.017921 -0.757437 -1.010706 -0.934771 -0.753897 -0.961568 -0.938025 -0.716437 -0.741961 -0.939728 -0.728854 -0.964461 -0.989332 -0.977601 2.041275 1.991554 -0.915601 -0.988773 -0.825598 -0.959749 -0.751423 -0.942651 -0.956635 0.268546 -837.30822134 -951.58004038 -493.49287975 1360.19294702 -1543.24895993 -14354.28251146 -7383.95728793 -5352.93718395 -8350.88318017 6896.18614387 -353.0852 411.0743 104.3498 -439.3895 -198.9695 -476.0202 Oct10-2020 02:58:33 Nodes: 1 Procs: 1 Oct10-2020 02:58:33 Nodes: 1 Procs: 1 0 Oct10-2020 02:58:34 Nodes: 1 Procs: 1 Oct10-2020 02:58:34 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Oct10-2020 02:58:35 Nodes: 1 Procs: 1 Oct10-2020 02:58:35 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Oct10-2020 02:58:37 Nodes: 1 Procs: 28 *** (NO TITLE) *** -13 -17.33538284 -17.36625090 -17.40600114 -17.42201422 -17.43331744 -17.43806808 -17.44595990 -17.44790036 -17.46032995 -17.46290950 -17.46430481 -17.46703944 -17.46744875 -17.46808876 -17.46700924 -17.47195329 -17.47587761 -17.47719398 -17.47504558 -17.47742214 -17.47998320 -17.48247958 -17.48590341 -17.48654731 -17.48725906 -17.48751896 -17.48796862 -17.48802774 -17.48876963 -17.48901463 -17.48921127 -17.48927382 -17.48932973 -17.48944717 -17.48953001 -17.48947267 -17.48974576 -17.48980158 -17.48987802 -17.48995980 -17.49003714 -17.49017753 -17.49021057 -17.49035795 -17.49043148 -17.49065327 -17.49075951 -17.49080908 -17.49059683 -17.49079994 -17.49083233 -17.49108327 -17.49100798 -17.49117010 -17.49117224 -17.49131184 -17.49116931 -17.49122958 -17.49143342 -17.49137106 -17.49174960 -17.49196714 -17.49215999 -17.49264292 -17.49266846 -17.49285265 -17.49321442 -17.49333318 -17.49332015 -17.49334288 -17.49344773 -17.49348306 -17.49349590 -17.49345287 -17.49342009 GEOMETRY CONVERGED