ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar08-2024 15:19:20 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.33 0.04 0.40 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 Mar08-2024 15:19:20 Nodes: 1 Procs: 1 Mar08-2024 15:19:20 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar08-2024 15:19:21 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.60 0.03 0.66 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 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 Mar08-2024 15:19:20 Nodes: 1 Procs: 1 Mar08-2024 15:19:20 Nodes: 1 Procs: 1 0 Mar08-2024 15:19:21 Nodes: 1 Procs: 1 Mar08-2024 15:19:21 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar08-2024 15:19:22 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 Mar08-2024 15:19:20 Nodes: 1 Procs: 1 Mar08-2024 15:19:20 Nodes: 1 Procs: 1 0 Mar08-2024 15:19:21 Nodes: 1 Procs: 1 Mar08-2024 15:19:21 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar08-2024 15:19:22 Nodes: 1 Procs: 1 Mar08-2024 15:19:22 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar08-2024 15:19:23 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) 1.33 0.03 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 Mar08-2024 15:19:20 Nodes: 1 Procs: 1 Mar08-2024 15:19:20 Nodes: 1 Procs: 1 0 Mar08-2024 15:19:21 Nodes: 1 Procs: 1 Mar08-2024 15:19:21 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar08-2024 15:19:22 Nodes: 1 Procs: 1 Mar08-2024 15:19:22 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar08-2024 15:19:23 Nodes: 1 Procs: 1 Mar08-2024 15:19:24 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar08-2024 15:19:26 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2874.1415000000056 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3.732276 3.727603 0.206768 -3.748879 3.776114 -0.230939 -3.716912 -3.717311 0.203188 -3.705336 0.225068 -3.720694 -3.747584 -0.185389 3.725179 3.738388 0.224238 3.758913 3.750255 -0.235904 -3.697153 0.009581 0.004286 -0.039123 -4.384020 3.749754 -0.978624 3.891086 -4.551296 0.308054 1 3 -3 0.096118 -2.508741 2.558220 Rho 0.4361414E+07 3,-3 2 3 -3 -0.115668 -2.533077 -2.529249 Rho 0.4361414E+07 3,-3 3 3 -3 0.151682 2.527322 -2.544956 Rho 0.4361414E+07 3,-3 4 3 -3 -0.096726 2.533140 2.537991 Rho 0.4361414E+07 3,-3 5 3 -3 2.473803 -2.453269 0.146357 Rho 0.4361413E+07 3,-3 6 3 -3 2.538094 2.527558 -0.111907 Rho 0.4361414E+07 3,-3 7 3 -3 -2.463886 2.477587 0.110042 Rho 0.4361413E+07 3,-3 8 3 -3 -2.518632 -2.520772 -0.113435 Rho 0.4361414E+07 3,-3 9 3 -3 -2.489614 -0.146900 -2.559133 Rho 0.4361414E+07 3,-3 10 3 -3 -2.542441 0.122769 2.536029 Rho 0.4361414E+07 3,-3 11 3 -3 2.543328 -0.093564 2.562444 Rho 0.4361414E+07 3,-3 12 3 -3 2.527229 0.140437 -2.544926 Rho 0.4361414E+07 3,-3 13 3 -3 0.967956 -0.953185 0.908322 Rho 0.3186616E+03 3,-3 14 3 -3 -0.939246 -0.950217 -0.973031 Rho 0.3186584E+03 3,-3 15 3 -3 0.965428 0.951951 -0.972834 Rho 0.3186589E+03 3,-3 16 3 -3 -0.951573 0.963679 0.899152 Rho 0.3186617E+03 3,-3 17 3 -3 -2.989817 -1.142897 1.152532 Rho 0.3188797E+03 3,-3 18 3 -3 2.988372 -1.149160 -1.096716 Rho 0.3189562E+03 3,-3 19 3 -3 -2.951011 1.149234 -1.119064 Rho 0.3189494E+03 3,-3 20 3 -3 2.998312 1.161347 1.170578 Rho 0.3188790E+03 3,-3 21 3 -3 1.163846 -1.150921 -2.974321 Rho 0.3188800E+03 3,-3 22 3 -3 1.150648 1.167856 3.020997 Rho 0.3188785E+03 3,-3 23 3 -3 -1.121474 1.140363 -2.989647 Rho 0.3188801E+03 3,-3 24 3 -3 -1.153756 -1.135817 3.015608 Rho 0.3188784E+03 3,-3 25 3 -3 -1.123856 2.984546 -1.131397 Rho 0.3189186E+03 3,-3 26 3 -3 -1.133718 -2.987025 1.154597 Rho 0.3188803E+03 3,-3 27 3 -3 1.141173 3.002867 1.140427 Rho 0.3188808E+03 3,-3 28 3 -3 1.145573 -2.978102 -1.100315 Rho 0.3189193E+03 3,-3 29 3 -3 3.408357 -1.493875 1.531242 Rho 0.3190122E+03 3,-3 30 3 -3 -3.397491 -1.503392 -1.524439 Rho 0.3189977E+03 3,-3 31 3 -3 3.427375 1.502355 -1.508949 Rho 0.3189975E+03 3,-3 32 3 -3 -3.401322 1.518884 1.491877 Rho 0.3190118E+03 3,-3 33 3 -3 1.505503 -1.488679 3.418769 Rho 0.3189853E+03 3,-3 34 3 -3 1.543987 1.520373 -3.455067 Rho 0.3189996E+03 3,-3 35 3 -3 -1.514220 1.524120 3.395028 Rho 0.3189867E+03 3,-3 36 3 -3 -1.500393 -1.531818 -3.456077 Rho 0.3189999E+03 3,-3 37 3 -3 -1.503830 -3.414051 -1.518828 Rho 0.3189981E+03 3,-3 38 3 -3 -1.524802 3.396421 1.479736 Rho 0.3190292E+03 3,-3 39 3 -3 1.529182 -3.375581 1.517539 Rho 0.3190208E+03 3,-3 40 3 -3 1.532057 3.413092 -1.529692 Rho 0.3189981E+03 3,-3 41 3 -3 -0.208230 -3.717414 3.744594 Rho 0.3194296E+03 3,-3 42 3 -3 0.252414 -3.747224 -3.693671 Rho 0.3194287E+03 3,-3 43 3 -3 -0.206576 3.732066 -3.722106 Rho 0.3194288E+03 3,-3 44 3 -3 0.194901 3.754365 3.714885 Rho 0.3194300E+03 3,-3 45 3 -3 3.784089 -3.725665 -0.212457 Rho 0.3186938E+03 3,-3 46 3 -3 3.732276 3.727603 0.206768 Rho 0.3194187E+03 3,-3 47 3 -3 -3.748879 3.776114 -0.230939 Rho 0.3186832E+03 3,-3 48 3 -3 -3.716912 -3.717311 0.203188 Rho 0.3194185E+03 3,-3 49 3 -3 -3.705336 0.225068 -3.720694 Rho 0.3194312E+03 3,-3 50 3 -3 -3.747584 -0.185389 3.725179 Rho 0.3194277E+03 3,-3 51 3 -3 3.738388 0.224238 3.758913 Rho 0.3194281E+03 3,-3 52 3 -3 3.750255 -0.235904 -3.697153 Rho 0.3194319E+03 3,-3 53 3 -3 0.009581 0.004286 -0.039123 Rho 0.1943300E+04 3,-3 54 3 -3 -4.384020 3.749754 -0.978624 Rho 0.4432191E+00 3,-3 55 3 -3 3.891086 -4.551296 0.308054 Rho 0.4430343E+00 3,-3 56 3 +1 -2.147526 1.071987 1.344634 Rho 0.2934979E-01 |GRAD(Rho)| 0.1380063E-13 GRAD(Rho)x -0.1297040E-13 GRAD(Rho)y 0.4803865E-15 GRAD(Rho)z 0.4689908E-14 Laplacian 0.1126717E+00 (-1/4)Del**2(Rho)) -0.2816792E-01 Diamond 0.1597205E-01 Metallicity 0.1707943E+01 Ellipticity -0.2718341E+01 Gb(Abramov) 0.2679681E-01 Vb(Abramov) -0.2542570E-01 Hb(Abramov) 0.1371106E-02 Ex_ueg -0.6686389E-02 Ec_ueg -0.1310117E-02 Delta_ex -0.7104760E-02 Delta_ec 0.1534928E-02 Delta_et -0.1412450E-01 Pxc 0.5103657E+01 Qxc -0.4628724E+01 3,+1 57 3 -1 -2.955060 -0.867636 -1.995077 Rho 0.1467820E+00 |GRAD(Rho)| 0.3187712E-13 GRAD(Rho)x -0.2146692E-13 GRAD(Rho)y 0.6597262E-14 GRAD(Rho)z 0.2262296E-13 Laplacian 0.5803789E+00 (-1/4)Del**2(Rho)) -0.1450947E+00 Diamond 0.1151673E+01 Metallicity 0.4849419E+01 Ellipticity 0.4160758E-01 Gb(Abramov) 0.2140007E+00 Vb(Abramov) -0.2829066E+00 Hb(Abramov) -0.6890594E-01 Ex_ueg -0.5718502E-01 Ec_ueg -0.8237837E-02 Delta_ex -0.6205554E-01 Delta_ec 0.1491057E-01 Delta_et -0.1981196E+00 Pxc 0.6941751E+01 Qxc -0.4161848E+01 3,-1 58 3 +1 -2.866720 -0.191582 -0.188543 Rho 0.5566886E-02 |GRAD(Rho)| 0.1395310E-16 GRAD(Rho)x -0.1744297E-19 GRAD(Rho)y -0.1097904E-16 GRAD(Rho)z 0.8610999E-17 Laplacian 0.2361858E-01 (-1/4)Del**2(Rho)) -0.5904644E-02 Diamond 0.5798191E-03 Metallicity 0.5101681E+00 Ellipticity -0.2093314E+01 Gb(Abramov) 0.4438489E-02 Vb(Abramov) -0.2972335E-02 Hb(Abramov) 0.1466154E-02 Ex_ueg -0.7286766E-03 Ec_ueg -0.1713892E-03 Delta_ex -0.1153578E-02 Delta_ec 0.6624932E-03 Delta_et -0.3748102E-02 Pxc 0.4251590E+01 Qxc -0.1741268E+01 3,+1 59 3 +3 -2.314613 -0.041570 -0.027429 Rho 0.4964748E-02 |GRAD(Rho)| 0.1101425E-17 GRAD(Rho)x -0.7824594E-18 GRAD(Rho)y 0.5189066E-18 GRAD(Rho)z 0.5758739E-18 Laplacian 0.2099663E-01 (-1/4)Del**2(Rho)) -0.5249157E-02 Diamond 0.2115905E-03 Metallicity 0.4741971E+00 Ellipticity -0.3157251E+00 Gb(Abramov) 0.3914294E-02 Vb(Abramov) -0.2579431E-02 Hb(Abramov) 0.1334863E-02 Ex_ueg -0.6255297E-03 Ec_ueg -0.1453961E-03 Delta_ex -0.7862163E-03 Delta_ec 0.2035815E-03 Delta_et -0.1288417E-02 Pxc 0.4302247E+01 Qxc -0.3861924E+01 3,+3 60 3 +1 -0.514051 -0.512589 1.650198 Rho 0.8113207E-02 |GRAD(Rho)| 0.1179114E-12 GRAD(Rho)x -0.1126612E-12 GRAD(Rho)y -0.2145173E-13 GRAD(Rho)z -0.2739286E-13 Laplacian 0.3177953E-01 (-1/4)Del**2(Rho)) -0.7944882E-02 Diamond 0.7736574E-03 Metallicity 0.7103188E+00 Ellipticity -0.1402777E+01 Gb(Abramov) 0.6237155E-02 Vb(Abramov) -0.4529427E-02 Hb(Abramov) 0.1707728E-02 Ex_ueg -0.1204042E-02 Ec_ueg -0.2832526E-03 Delta_ex -0.1424814E-02 Delta_ec 0.4368398E-03 Delta_et -0.2949849E-02 Pxc 0.4250773E+01 Qxc -0.3261640E+01 3,+1 61 3 +1 -1.729378 -1.725952 1.745633 Rho 0.1236080E-01 |GRAD(Rho)| 0.6544066E-17 GRAD(Rho)x -0.7310102E-18 GRAD(Rho)y -0.5115497E-19 GRAD(Rho)z -0.6502908E-17 Laplacian 0.6262199E-01 (-1/4)Del**2(Rho)) -0.1565550E-01 Diamond 0.2608829E-02 Metallicity 0.7271615E+00 Ellipticity -0.1244219E+01 Gb(Abramov) 0.1233434E-01 Vb(Abramov) -0.9013190E-02 Hb(Abramov) 0.3321153E-02 Ex_ueg -0.2110801E-02 Ec_ueg -0.4762505E-03 Delta_ex -0.3101069E-02 Delta_ec 0.8105959E-03 Delta_et -0.6123945E-02 Pxc 0.4432124E+01 Qxc -0.3825666E+01 3,+1 62 3 -1 -2.764774 -0.550503 1.795077 Rho 0.1439252E+00 |GRAD(Rho)| 0.1590405E-14 GRAD(Rho)x 0.1225826E-15 GRAD(Rho)y 0.1015992E-14 GRAD(Rho)z 0.1217424E-14 Laplacian 0.6089991E+00 (-1/4)Del**2(Rho)) -0.1522498E+00 Diamond 0.1177638E+01 Metallicity 0.4472578E+01 Ellipticity 0.8122703E-02 Gb(Abramov) 0.2149913E+00 Vb(Abramov) -0.2777329E+00 Hb(Abramov) -0.6274157E-01 Ex_ueg -0.5570585E-01 Ec_ueg -0.8055780E-02 Delta_ex -0.6477591E-01 Delta_ec 0.1567204E-01 Delta_et -0.2075334E+00 Pxc 0.6915017E+01 Qxc -0.4133215E+01 3,-1 63 3 +1 -0.495586 0.511888 -1.680705 Rho 0.9505344E-02 |GRAD(Rho)| 0.1042457E-16 GRAD(Rho)x 0.4689505E-17 GRAD(Rho)y -0.7929152E-17 GRAD(Rho)z 0.4879417E-17 Laplacian 0.3793702E-01 (-1/4)Del**2(Rho)) -0.9484255E-02 Diamond 0.1128334E-02 Metallicity 0.7747526E+00 Ellipticity -0.1428040E+01 Gb(Abramov) 0.7547496E-02 Vb(Abramov) -0.5610736E-02 Hb(Abramov) 0.1936760E-02 Ex_ueg -0.1487107E-02 Ec_ueg -0.3456676E-03 Delta_ex -0.1763829E-02 Delta_ec 0.5089104E-03 Delta_et -0.3588336E-02 Pxc 0.4302130E+01 Qxc -0.3465893E+01 3,+1 64 3 -1 -3.147950 0.053745 -3.187848 Rho 0.2539878E+00 |GRAD(Rho)| 0.1803630E-11 GRAD(Rho)x 0.1271788E-11 GRAD(Rho)y -0.3973703E-12 GRAD(Rho)z 0.1215621E-11 Laplacian 0.9408328E+00 (-1/4)Del**2(Rho)) -0.2352082E+00 Diamond 0.3530950E+01 Metallicity 0.7460859E+01 Ellipticity 0.4538621E-02 Gb(Abramov) 0.4492813E+00 Vb(Abramov) -0.6633544E+00 Hb(Abramov) -0.2140731E+00 Ex_ueg -0.1187961E+00 Ec_ueg -0.1541140E-01 Delta_ex -0.1152168E+00 Delta_ec 0.2015649E-01 Delta_et -0.2783069E+00 Pxc 0.7708324E+01 Qxc -0.5716114E+01 3,-1 65 3 -1 -1.757147 0.538523 -2.771871 Rho 0.1441125E+00 |GRAD(Rho)| 0.1752398E-15 GRAD(Rho)x -0.1045849E-15 GRAD(Rho)y 0.1068346E-15 GRAD(Rho)z -0.9141857E-16 Laplacian 0.6110706E+00 (-1/4)Del**2(Rho)) -0.1527677E+00 Diamond 0.1182906E+01 Metallicity 0.4467090E+01 Ellipticity 0.8638381E-02 Gb(Abramov) 0.2155829E+00 Vb(Abramov) -0.2783982E+00 Hb(Abramov) -0.6281526E-01 Ex_ueg -0.5580255E-01 Ec_ueg -0.8067703E-02 Delta_ex -0.6501076E-01 Delta_ec 0.1570936E-01 Delta_et -0.2080436E+00 Pxc 0.6916783E+01 Qxc -0.4138345E+01 3,-1 66 3 +1 -1.647079 0.487518 -0.558862 Rho 0.9668568E-02 |GRAD(Rho)| 0.8088754E-17 GRAD(Rho)x -0.8927682E-18 GRAD(Rho)y 0.6740624E-17 GRAD(Rho)z -0.4381198E-17 Laplacian 0.3989414E-01 (-1/4)Del**2(Rho)) -0.9973535E-02 Diamond 0.1220697E-02 Metallicity 0.7579508E+00 Ellipticity -0.1404229E+01 Gb(Abramov) 0.7908932E-02 Vb(Abramov) -0.5844328E-02 Hb(Abramov) 0.2064604E-02 Ex_ueg -0.1521252E-02 Ec_ueg -0.3530409E-03 Delta_ex -0.1865380E-02 Delta_ec 0.5394551E-03 Delta_et -0.3816537E-02 Pxc 0.4308998E+01 Qxc -0.3457897E+01 3,+1 67 3 +1 -1.670983 -0.512349 0.494029 Rho 0.8843279E-02 |GRAD(Rho)| 0.2223972E-16 GRAD(Rho)x -0.1854017E-16 GRAD(Rho)y -0.3533416E-17 GRAD(Rho)z 0.1176358E-16 Laplacian 0.3509387E-01 (-1/4)Del**2(Rho)) -0.8773468E-02 Diamond 0.9555113E-03 Metallicity 0.7425700E+00 Ellipticity -0.1416735E+01 Gb(Abramov) 0.6934798E-02 Vb(Abramov) -0.5096128E-02 Hb(Abramov) 0.1838670E-02 Ex_ueg -0.1350629E-02 Ec_ueg -0.3158782E-03 Delta_ex -0.1605899E-02 Delta_ec 0.4782906E-03 Delta_et -0.3305118E-02 Pxc 0.4275792E+01 Qxc -0.3357579E+01 3,+1 68 3 -1 -1.714988 0.539483 1.685513 Rho 0.4466376E-01 |GRAD(Rho)| 0.8872418E-16 GRAD(Rho)x -0.6178788E-16 GRAD(Rho)y -0.2055961E-17 GRAD(Rho)z 0.6363970E-16 Laplacian 0.1713777E+00 (-1/4)Del**2(Rho)) -0.4284441E-01 Diamond 0.7213020E-01 Metallicity 0.2260742E+01 Ellipticity 0.1187199E-01 Gb(Abramov) 0.4470630E-01 Vb(Abramov) -0.4656819E-01 Hb(Abramov) -0.1861891E-02 Ex_ueg -0.1170376E-01 Ec_ueg -0.2122101E-02 Delta_ex -0.1359324E-01 Delta_ec 0.4896943E-02 Delta_et -0.5008360E-01 Pxc 0.5515175E+01 Qxc -0.2775862E+01 3,-1 69 3 +1 -0.135842 0.149186 2.908973 Rho 0.5411588E-02 |GRAD(Rho)| 0.4205211E-13 GRAD(Rho)x -0.4115980E-13 GRAD(Rho)y -0.4951725E-14 GRAD(Rho)z -0.7052050E-14 Laplacian 0.2234984E-01 (-1/4)Del**2(Rho)) -0.5587461E-02 Diamond 0.5932113E-03 Metallicity 0.5142961E+00 Ellipticity -0.3858407E+01 Gb(Abramov) 0.4203909E-02 Vb(Abramov) -0.2820357E-02 Hb(Abramov) 0.1383552E-02 Ex_ueg -0.7016998E-03 Ec_ueg -0.1646679E-03 Delta_ex -0.1139699E-02 Delta_ec 0.7239465E-03 Delta_et -0.4018002E-02 Pxc 0.4261303E+01 Qxc -0.1574286E+01 3,+1 70 3 +1 0.135289 -0.119580 2.912535 Rho 0.5409671E-02 |GRAD(Rho)| 0.3456207E-17 GRAD(Rho)x -0.2903285E-17 GRAD(Rho)y -0.2724773E-18 GRAD(Rho)z 0.1855280E-17 Laplacian 0.2234952E-01 (-1/4)Del**2(Rho)) -0.5587379E-02 Diamond 0.5918118E-03 Metallicity 0.5140000E+00 Ellipticity -0.3743023E+01 Gb(Abramov) 0.4203572E-02 Vb(Abramov) -0.2819764E-02 Hb(Abramov) 0.1383808E-02 Ex_ueg -0.7013684E-03 Ec_ueg -0.1645850E-03 Delta_ex -0.1138678E-02 Delta_ec 0.7222817E-03 Delta_et -0.4008979E-02 Pxc 0.4261436E+01 Qxc -0.1576501E+01 3,+1 71 3 -1 -1.983035 0.867467 2.974807 Rho 0.1441681E+00 |GRAD(Rho)| 0.4886211E-15 GRAD(Rho)x 0.2492039E-15 GRAD(Rho)y 0.3312509E-15 GRAD(Rho)z 0.2586906E-15 Laplacian 0.5715749E+00 (-1/4)Del**2(Rho)) -0.1428937E+00 Diamond 0.1110504E+01 Metallicity 0.4778837E+01 Ellipticity 0.3191567E-01 Gb(Abramov) 0.2090734E+00 Vb(Abramov) -0.2752532E+00 Hb(Abramov) -0.6617973E-01 Ex_ueg -0.5583127E-01 Ec_ueg -0.8071243E-02 Delta_ex -0.6085179E-01 Delta_ec 0.1475901E-01 Delta_et -0.1956130E+00 Pxc 0.6917307E+01 Qxc -0.4123026E+01 3,-1 72 3 +1 -1.699516 1.722881 -1.733887 Rho 0.1255692E-01 |GRAD(Rho)| 0.9043837E-15 GRAD(Rho)x -0.2237003E-15 GRAD(Rho)y -0.7059877E-15 GRAD(Rho)z -0.5190853E-15 Laplacian 0.6372102E-01 (-1/4)Del**2(Rho)) -0.1593026E-01 Diamond 0.2715433E-02 Metallicity 0.7336165E+00 Ellipticity -0.1256738E+01 Gb(Abramov) 0.1256795E-01 Vb(Abramov) -0.9205651E-02 Hb(Abramov) 0.3362302E-02 Ex_ueg -0.2155573E-02 Ec_ueg -0.4853391E-03 Delta_ex -0.3169443E-02 Delta_ec 0.8262066E-03 Delta_et -0.6264810E-02 Pxc 0.4441374E+01 Qxc -0.3836138E+01 3,+1 73 3 +1 -0.152979 -0.179556 -2.855643 Rho 0.5711930E-02 |GRAD(Rho)| 0.2269134E-17 GRAD(Rho)x 0.2235227E-17 GRAD(Rho)y -0.4076541E-19 GRAD(Rho)z -0.3886736E-18 Laplacian 0.2365325E-01 (-1/4)Del**2(Rho)) -0.5913312E-02 Diamond 0.6160116E-03 Metallicity 0.5317332E+00 Ellipticity -0.2661531E+01 Gb(Abramov) 0.4466259E-02 Vb(Abramov) -0.3019206E-02 Hb(Abramov) 0.1447053E-02 Ex_ueg -0.7540999E-03 Ec_ueg -0.1776775E-03 Delta_ex -0.1172923E-02 Delta_ec 0.6841199E-03 Delta_et -0.3890796E-02 Pxc 0.4244205E+01 Qxc -0.1714499E+01 3,+1 74 3 -1 -1.951258 -0.884246 -3.019353 Rho 0.1498849E+00 |GRAD(Rho)| 0.6833148E-15 GRAD(Rho)x -0.1623457E-15 GRAD(Rho)y 0.6260725E-15 GRAD(Rho)z 0.2204454E-15 Laplacian 0.5891672E+00 (-1/4)Del**2(Rho)) -0.1472918E+00 Diamond 0.1202433E+01 Metallicity 0.4946572E+01 Ellipticity 0.4103741E-01 Gb(Abramov) 0.2196261E+00 Vb(Abramov) -0.2919604E+00 Hb(Abramov) -0.7233432E-01 Ex_ueg -0.5880246E-01 Ec_ueg -0.8436146E-02 Delta_ex -0.6335465E-01 Delta_ec 0.1512204E-01 Delta_et -0.2016759E+00 Pxc 0.6970300E+01 Qxc -0.4189557E+01 3,-1 75 3 +1 -1.250131 -2.161728 -1.193667 Rho 0.2930015E-01 |GRAD(Rho)| 0.9671401E-16 GRAD(Rho)x -0.5377533E-16 GRAD(Rho)y -0.8037179E-16 GRAD(Rho)z -0.1479680E-17 Laplacian 0.1155973E+00 (-1/4)Del**2(Rho)) -0.2889934E-01 Diamond 0.1876120E-01 Metallicity 0.1660027E+01 Ellipticity -0.4851941E+01 Gb(Abramov) 0.2726184E-01 Vb(Abramov) -0.2562434E-01 Hb(Abramov) 0.1637500E-02 Ex_ueg -0.6671317E-02 Ec_ueg -0.1307565E-02 Delta_ex -0.7497881E-02 Delta_ec 0.1953403E-02 Delta_et -0.1791713E-01 Pxc 0.5102092E+01 Qxc -0.3838369E+01 3,+1 76 3 +1 -1.230087 1.218472 2.127399 Rho 0.2738532E-01 |GRAD(Rho)| 0.2163740E-12 GRAD(Rho)x 0.1326054E-12 GRAD(Rho)y 0.1599694E-12 GRAD(Rho)z 0.6035964E-13 Laplacian 0.1070118E+00 (-1/4)Del**2(Rho)) -0.2675295E-01 Diamond 0.1627405E-01 Metallicity 0.1602180E+01 Ellipticity -0.5399143E+01 Gb(Abramov) 0.2497914E-01 Vb(Abramov) -0.2320533E-01 Hb(Abramov) 0.1773811E-02 Ex_ueg -0.6096429E-02 Ec_ueg -0.1209545E-02 Delta_ex -0.6859138E-02 Delta_ec 0.1885734E-02 Delta_et -0.1700660E-01 Pxc 0.5040265E+01 Qxc -0.3637384E+01 3,+1 77 3 +1 -0.136590 2.881855 0.150288 Rho 0.5897718E-02 |GRAD(Rho)| 0.2384636E-15 GRAD(Rho)x -0.1613262E-15 GRAD(Rho)y -0.3442621E-16 GRAD(Rho)z 0.1722021E-15 Laplacian 0.2476026E-01 (-1/4)Del**2(Rho)) -0.6190064E-02 Diamond 0.7218749E-03 Metallicity 0.5357942E+00 Ellipticity -0.3991720E+01 Gb(Abramov) 0.4679476E-02 Vb(Abramov) -0.3168888E-02 Hb(Abramov) 0.1510588E-02 Ex_ueg -0.7869800E-03 Ec_ueg -0.1857475E-03 Delta_ex -0.1272056E-02 Delta_ec 0.7808316E-03 Delta_et -0.4455330E-02 Pxc 0.4236827E+01 Qxc -0.1629104E+01 3,+1 78 3 -1 -0.853282 2.978008 1.968804 Rho 0.1306121E+00 |GRAD(Rho)| 0.1725519E-15 GRAD(Rho)x 0.1227181E-15 GRAD(Rho)y -0.7530462E-16 GRAD(Rho)z -0.9509808E-16 Laplacian 0.5228534E+00 (-1/4)Del**2(Rho)) -0.1307134E+00 Diamond 0.9069457E+00 Metallicity 0.4431379E+01 Ellipticity 0.3842688E-01 Gb(Abramov) 0.1836823E+00 Vb(Abramov) -0.2366513E+00 Hb(Abramov) -0.5296895E-01 Ex_ueg -0.4894364E-01 Ec_ueg -0.7214217E-02 Delta_ex -0.5440448E-01 Delta_ec 0.1392812E-01 Delta_et -0.1819756E+00 Pxc 0.6784332E+01 Qxc -0.3906090E+01 3,-1 79 3 +3 0.045079 2.312361 -0.029854 Rho 0.5062797E-02 |GRAD(Rho)| 0.1668888E-15 GRAD(Rho)x 0.1016900E-15 GRAD(Rho)y 0.6817222E-16 GRAD(Rho)z -0.1134176E-15 Laplacian 0.2131578E-01 (-1/4)Del**2(Rho)) -0.5328945E-02 Diamond 0.2119448E-03 Metallicity 0.4825727E+00 Ellipticity -0.3066441E+00 Gb(Abramov) 0.3981231E-02 Vb(Abramov) -0.2633516E-02 Hb(Abramov) 0.1347715E-02 Ex_ueg -0.6420553E-03 Ec_ueg -0.1496162E-03 Delta_ex -0.7942741E-03 Delta_ec 0.1925800E-03 Delta_et -0.1243042E-02 Pxc 0.4291348E+01 Qxc -0.4124386E+01 3,+3 80 3 +1 -1.046348 2.155526 1.361511 Rho 0.2945018E-01 |GRAD(Rho)| 0.2065288E-16 GRAD(Rho)x -0.5452677E-17 GRAD(Rho)y 0.1342075E-16 GRAD(Rho)z 0.1472050E-16 Laplacian 0.1135505E+00 (-1/4)Del**2(Rho)) -0.2838764E-01 Diamond 0.1573181E-01 Metallicity 0.1704396E+01 Ellipticity -0.2493945E+01 Gb(Abramov) 0.2698905E-01 Vb(Abramov) -0.2559047E-01 Hb(Abramov) 0.1398585E-02 Ex_ueg -0.6716901E-02 Ec_ueg -0.1315282E-02 Delta_ex -0.7128468E-02 Delta_ec 0.1478148E-02 Delta_et -0.1362098E-01 Pxc 0.5106816E+01 Qxc -0.4822567E+01 3,+1 81 3 +1 -0.476017 1.666615 -0.556707 Rho 0.9564930E-02 |GRAD(Rho)| 0.2163912E-16 GRAD(Rho)x 0.3870442E-17 GRAD(Rho)y -0.1276700E-16 GRAD(Rho)z 0.1703745E-16 Laplacian 0.3902313E-01 (-1/4)Del**2(Rho)) -0.9755783E-02 Diamond 0.1164237E-02 Metallicity 0.7610749E+00 Ellipticity -0.1401108E+01 Gb(Abramov) 0.7741335E-02 Vb(Abramov) -0.5726888E-02 Hb(Abramov) 0.2014447E-02 Ex_ueg -0.1499549E-02 Ec_ueg -0.3483579E-03 Delta_ex -0.1814766E-02 Delta_ec 0.5190478E-03 Delta_et -0.3669226E-02 Pxc 0.4304623E+01 Qxc -0.3496337E+01 3,+1 82 3 +1 0.221642 2.888127 -0.211939 Rho 0.5770016E-02 |GRAD(Rho)| 0.4999640E-15 GRAD(Rho)x 0.3414718E-15 GRAD(Rho)y 0.2941514E-16 GRAD(Rho)z -0.3639997E-15 Laplacian 0.2448065E-01 (-1/4)Del**2(Rho)) -0.6120164E-02 Diamond 0.6161470E-03 Metallicity 0.5224987E+00 Ellipticity -0.2024138E+01 Gb(Abramov) 0.4613072E-02 Vb(Abramov) -0.3105980E-02 Hb(Abramov) 0.1507092E-02 Ex_ueg -0.7643421E-03 Ec_ueg -0.1801988E-03 Delta_ex -0.1193309E-02 Delta_ec 0.6667455E-03 Delta_et -0.3821228E-02 Pxc 0.4241661E+01 Qxc -0.1789753E+01 3,+1 83 3 +3 0.018115 -0.003826 -2.334650 Rho 0.5123236E-02 |GRAD(Rho)| 0.3933797E-14 GRAD(Rho)x 0.1977177E-14 GRAD(Rho)y 0.1797927E-14 GRAD(Rho)z 0.2886692E-14 Laplacian 0.2120095E-01 (-1/4)Del**2(Rho)) -0.5300238E-02 Diamond 0.2204889E-03 Metallicity 0.4948783E+00 Ellipticity -0.2526367E+00 Gb(Abramov) 0.3970654E-02 Vb(Abramov) -0.2641070E-02 Hb(Abramov) 0.1329584E-02 Ex_ueg -0.6522952E-03 Ec_ueg -0.1522200E-03 Delta_ex -0.7980480E-03 Delta_ec 0.2015837E-03 Delta_et -0.1290693E-02 Pxc 0.4285214E+01 Qxc -0.3958891E+01 3,+3 84 3 -1 -0.382887 -0.390692 -0.426352 Rho 0.1434882E+00 |GRAD(Rho)| 0.2512694E-13 GRAD(Rho)x 0.1663597E-13 GRAD(Rho)y 0.1293930E-13 GRAD(Rho)z 0.1368146E-13 Laplacian 0.7850884E+00 (-1/4)Del**2(Rho)) -0.1962721E+00 Diamond 0.1842246E+01 Metallicity 0.3451874E+01 Ellipticity 0.2718135E-03 Gb(Abramov) 0.2437658E+00 Vb(Abramov) -0.2912595E+00 Hb(Abramov) -0.4749372E-01 Ex_ueg -0.5548045E-01 Ec_ueg -0.8027977E-02 Delta_ex -0.8692736E-01 Delta_ec 0.2643857E-01 Delta_et -0.3633409E+00 Pxc 0.6910888E+01 Qxc -0.3287900E+01 3,-1 85 3 +3 -1.070664 -1.064552 1.096363 Rho 0.4961094E-02 |GRAD(Rho)| 0.6445301E-16 GRAD(Rho)x -0.3786033E-16 GRAD(Rho)y -0.4711851E-16 GRAD(Rho)z 0.2237482E-16 Laplacian 0.1937743E-01 (-1/4)Del**2(Rho)) -0.4844359E-02 Diamond 0.1330457E-03 Metallicity 0.5131914E+00 Ellipticity -0.7024921E-01 Gb(Abramov) 0.3643920E-02 Vb(Abramov) -0.2443481E-02 Hb(Abramov) 0.1200439E-02 Ex_ueg -0.6249161E-03 Ec_ueg -0.1452389E-03 Delta_ex -0.6672452E-03 Delta_ec 0.8396369E-04 Delta_et -0.6678565E-03 Pxc 0.4302677E+01 Qxc -0.7946831E+01 3,+3 86 3 +1 -0.505349 -1.670894 0.495915 Rho 0.8934071E-02 |GRAD(Rho)| 0.1486331E-16 GRAD(Rho)x -0.8241226E-18 GRAD(Rho)y -0.8360951E-17 GRAD(Rho)z 0.1226105E-16 Laplacian 0.3547889E-01 (-1/4)Del**2(Rho)) -0.8869723E-02 Diamond 0.9759515E-03 Metallicity 0.7471230E+00 Ellipticity -0.1416022E+01 Gb(Abramov) 0.7017611E-02 Vb(Abramov) -0.5165499E-02 Hb(Abramov) 0.1852112E-02 Ex_ueg -0.1369150E-02 Ec_ueg -0.3199520E-03 Delta_ex -0.1626215E-02 Delta_ec 0.4807875E-03 Delta_et -0.3333295E-02 Pxc 0.4279234E+01 Qxc -0.3382400E+01 3,+1 87 3 -1 -0.003217 0.017750 2.913767 Rho 0.5427010E-02 |GRAD(Rho)| 0.1259292E-15 GRAD(Rho)x -0.4414074E-16 GRAD(Rho)y 0.3477707E-16 GRAD(Rho)z -0.1126956E-15 Laplacian 0.2201472E-01 (-1/4)Del**2(Rho)) -0.5503679E-02 Diamond 0.6609144E-03 Metallicity 0.5246075E+00 Ellipticity 0.4978858E+01 Gb(Abramov) 0.4150331E-02 Vb(Abramov) -0.2796983E-02 Hb(Abramov) 0.1353348E-02 Ex_ueg -0.7043674E-03 Ec_ueg -0.1653348E-03 Delta_ex -0.1185127E-02 Delta_ec 0.8236064E-03 Delta_et -0.4532034E-02 Pxc 0.4260248E+01 Qxc -0.1438948E+01 3,-1 88 3 -1 0.020815 -0.004761 -2.870019 Rho 0.5753510E-02 |GRAD(Rho)| 0.1154577E-16 GRAD(Rho)x 0.8220846E-19 GRAD(Rho)y -0.1131562E-16 GRAD(Rho)z 0.2292306E-17 Laplacian 0.2323968E-01 (-1/4)Del**2(Rho)) -0.5809919E-02 Diamond 0.7393300E-03 Metallicity 0.5477779E+00 Ellipticity 0.2891959E+01 Gb(Abramov) 0.4403704E-02 Vb(Abramov) -0.2997488E-02 Hb(Abramov) 0.1406216E-02 Ex_ueg -0.7614281E-03 Ec_ueg -0.1794822E-03 Delta_ex -0.1252793E-02 Delta_ec 0.8483493E-03 Delta_et -0.4759057E-02 Pxc 0.4242361E+01 Qxc -0.1476742E+01 3,-1 89 3 -1 -1.695261 -1.701937 -0.538910 Rho 0.4941584E-01 |GRAD(Rho)| 0.5453019E-16 GRAD(Rho)x -0.1788171E-16 GRAD(Rho)y -0.4899450E-16 GRAD(Rho)z 0.1591617E-16 Laplacian 0.1921636E+00 (-1/4)Del**2(Rho)) -0.4804090E-01 Diamond 0.9308518E-01 Metallicity 0.2386267E+01 Ellipticity 0.6688542E-02 Gb(Abramov) 0.5113367E-01 Vb(Abramov) -0.5422644E-01 Hb(Abramov) -0.3092771E-02 Ex_ueg -0.1339286E-01 Ec_ueg -0.2382609E-02 Delta_ex -0.1564887E-01 Delta_ec 0.5508610E-02 Delta_et -0.5784932E-01 Pxc 0.5621089E+01 Qxc -0.2840801E+01 3,-1 90 3 -1 -0.388484 0.401505 0.347101 Rho 0.1394080E+00 |GRAD(Rho)| 0.6932988E-15 GRAD(Rho)x -0.5908094E-15 GRAD(Rho)y -0.3587786E-15 GRAD(Rho)z 0.5371609E-16 Laplacian 0.7417811E+00 (-1/4)Del**2(Rho)) -0.1854453E+00 Diamond 0.1676562E+01 Metallicity 0.3481905E+01 Ellipticity 0.1055538E-01 Gb(Abramov) 0.2312473E+00 Vb(Abramov) -0.2770494E+00 Hb(Abramov) -0.4580205E-01 Ex_ueg -0.5338698E-01 Ec_ueg -0.7768961E-02 Delta_ex -0.8154007E-01 Delta_ec 0.2504380E-01 Delta_et -0.3420336E+00 Pxc 0.6871830E+01 Qxc -0.3255899E+01 3,-1 91 3 +1 0.526932 -0.514960 -1.673767 Rho 0.9496286E-02 |GRAD(Rho)| 0.5830182E-17 GRAD(Rho)x -0.2329555E-17 GRAD(Rho)y 0.5204528E-17 GRAD(Rho)z 0.1215351E-17 Laplacian 0.3792090E-01 (-1/4)Del**2(Rho)) -0.9480225E-02 Diamond 0.1125787E-02 Metallicity 0.7738513E+00 Ellipticity -0.1426448E+01 Gb(Abramov) 0.7542864E-02 Vb(Abramov) -0.5605503E-02 Hb(Abramov) 0.1937361E-02 Ex_ueg -0.1485218E-02 Ec_ueg -0.3452587E-03 Delta_ex -0.1762410E-02 Delta_ec 0.5082717E-03 Delta_et -0.3583320E-02 Pxc 0.4301753E+01 Qxc -0.3467457E+01 3,+1 92 3 +3 0.007984 0.008194 2.276466 Rho 0.4519313E-02 |GRAD(Rho)| 0.1111029E-14 GRAD(Rho)x 0.6402806E-15 GRAD(Rho)y -0.4503384E-15 GRAD(Rho)z -0.7884292E-15 Laplacian 0.1836294E-01 (-1/4)Del**2(Rho)) -0.4590735E-02 Diamond 0.1487540E-03 Metallicity 0.4635804E+00 Ellipticity -0.2480673E+00 Gb(Abramov) 0.3415186E-02 Vb(Abramov) -0.2239636E-02 Hb(Abramov) 0.1175549E-02 Ex_ueg -0.5518423E-03 Ec_ueg -0.1262859E-03 Delta_ex -0.6563343E-03 Delta_ec 0.1512430E-03 Delta_et -0.9711313E-03 Pxc 0.4369786E+01 Qxc -0.4339603E+01 3,+3 93 3 +1 0.194143 0.169857 -2.855333 Rho 0.5712135E-02 |GRAD(Rho)| 0.7254021E-16 GRAD(Rho)x 0.4373774E-16 GRAD(Rho)y 0.5551297E-16 GRAD(Rho)z 0.1635245E-16 Laplacian 0.2365923E-01 (-1/4)Del**2(Rho)) -0.5914808E-02 Diamond 0.6162440E-03 Metallicity 0.5316307E+00 Ellipticity -0.2662542E+01 Gb(Abramov) 0.4467287E-02 Vb(Abramov) -0.3019767E-02 Hb(Abramov) 0.1447520E-02 Ex_ueg -0.7541361E-03 Ec_ueg -0.1776865E-03 Delta_ex -0.1173264E-02 Delta_ec 0.6843578E-03 Delta_et -0.3892163E-02 Pxc 0.4244196E+01 Qxc -0.1714402E+01 3,+1 94 3 +3 -1.063098 1.084385 -1.124273 Rho 0.5417468E-02 |GRAD(Rho)| 0.5108402E-17 GRAD(Rho)x -0.2246191E-17 GRAD(Rho)y -0.4335447E-17 GRAD(Rho)z 0.1501433E-17 Laplacian 0.2185333E-01 (-1/4)Del**2(Rho)) -0.5463332E-02 Diamond 0.1676304E-03 Metallicity 0.5269339E+00 Ellipticity -0.1880597E+00 Gb(Abramov) 0.4122024E-02 Vb(Abramov) -0.2780716E-02 Hb(Abramov) 0.1341308E-02 Ex_ueg -0.7027165E-03 Ec_ueg -0.1649221E-03 Delta_ex -0.7697965E-03 Delta_ec 0.9222265E-04 Delta_et -0.7516464E-03 Pxc 0.4260899E+01 Qxc -0.8347153E+01 3,+3 95 3 +1 0.530998 0.525457 1.652564 Rho 0.8066346E-02 |GRAD(Rho)| 0.6873117E-14 GRAD(Rho)x -0.4064356E-14 GRAD(Rho)y -0.2094811E-14 GRAD(Rho)z -0.5131522E-14 Laplacian 0.3155295E-01 (-1/4)Del**2(Rho)) -0.7888236E-02 Diamond 0.7618217E-03 Metallicity 0.7085458E+00 Ellipticity -0.1401566E+01 Gb(Abramov) 0.6190354E-02 Vb(Abramov) -0.4492471E-02 Hb(Abramov) 0.1697883E-02 Ex_ueg -0.1194779E-02 Ec_ueg -0.2811666E-03 Delta_ex -0.1412447E-02 Delta_ec 0.4334776E-03 Delta_et -0.2923008E-02 Pxc 0.4249363E+01 Qxc -0.3258408E+01 3,+1 96 3 +3 1.094792 -1.077853 -1.112001 Rho 0.5445467E-02 |GRAD(Rho)| 0.1852262E-15 GRAD(Rho)x -0.8955971E-16 GRAD(Rho)y -0.1172656E-15 GRAD(Rho)z -0.1119669E-15 Laplacian 0.2182135E-01 (-1/4)Del**2(Rho)) -0.5455337E-02 Diamond 0.1671351E-03 Metallicity 0.5322596E+00 Ellipticity -0.1900605E+00 Gb(Abramov) 0.4120834E-02 Vb(Abramov) -0.2786331E-02 Hb(Abramov) 0.1334503E-02 Ex_ueg -0.7075631E-03 Ec_ueg -0.1661331E-03 Delta_ex -0.7685879E-03 Delta_ec 0.8995902E-04 Delta_et -0.7401667E-03 Pxc 0.4259013E+01 Qxc -0.8543756E+01 3,+3 97 3 +1 0.495030 -1.658430 -0.542528 Rho 0.9713105E-02 |GRAD(Rho)| 0.1379384E-16 GRAD(Rho)x -0.7523886E-17 GRAD(Rho)y 0.1114091E-16 GRAD(Rho)z 0.3088904E-17 Laplacian 0.3969422E-01 (-1/4)Del**2(Rho)) -0.9923555E-02 Diamond 0.1203492E-02 Metallicity 0.7676255E+00 Ellipticity -0.1400204E+01 Gb(Abramov) 0.7885299E-02 Vb(Abramov) -0.5847043E-02 Hb(Abramov) 0.2038256E-02 Ex_ueg -0.1530603E-02 Ec_ueg -0.3550547E-03 Delta_ex -0.1851053E-02 Delta_ec 0.5239365E-03 Delta_et -0.3721440E-02 Pxc 0.4310893E+01 Qxc -0.3532972E+01 3,+1 98 3 -1 0.406692 -0.392322 0.350165 Rho 0.1384729E+00 |GRAD(Rho)| 0.2488852E-15 GRAD(Rho)x -0.8553190E-16 GRAD(Rho)y -0.1364996E-15 GRAD(Rho)z 0.1897260E-15 Laplacian 0.7340612E+00 (-1/4)Del**2(Rho)) -0.1835153E+00 Diamond 0.1645529E+01 Metallicity 0.3479274E+01 Ellipticity 0.1227456E-01 Gb(Abramov) 0.2287602E+00 Vb(Abramov) -0.2740051E+00 Hb(Abramov) -0.4524490E-01 Ex_ueg -0.5291002E-01 Ec_ueg -0.7709745E-02 Delta_ex -0.8056518E-01 Delta_ec 0.2481495E-01 Delta_et -0.3384397E+00 Pxc 0.6862746E+01 Qxc -0.3246639E+01 3,-1 99 3 +1 1.675531 -0.483697 -0.548707 Rho 0.9619694E-02 |GRAD(Rho)| 0.2276737E-16 GRAD(Rho)x 0.2069917E-16 GRAD(Rho)y -0.4193071E-17 GRAD(Rho)z -0.8503858E-17 Laplacian 0.3933579E-01 (-1/4)Del**2(Rho)) -0.9833946E-02 Diamond 0.1184757E-02 Metallicity 0.7622442E+00 Ellipticity -0.1402634E+01 Gb(Abramov) 0.7805276E-02 Vb(Abramov) -0.5776605E-02 Hb(Abramov) 0.2028671E-02 Ex_ueg -0.1511008E-02 Ec_ueg -0.3508319E-03 Delta_ex -0.1832780E-02 Delta_ec 0.5245941E-03 Delta_et -0.3712608E-02 Pxc 0.4306929E+01 Qxc -0.3493710E+01 3,+1 100 3 -1 0.405070 0.396320 -0.426274 Rho 0.1434792E+00 |GRAD(Rho)| 0.2957765E-13 GRAD(Rho)x -0.1637110E-13 GRAD(Rho)y -0.1788401E-13 GRAD(Rho)z 0.1694068E-13 Laplacian 0.7851947E+00 (-1/4)Del**2(Rho)) -0.1962987E+00 Diamond 0.1841996E+01 Metallicity 0.3451045E+01 Ellipticity 0.5715656E-03 Gb(Abramov) 0.2437717E+00 Vb(Abramov) -0.2912447E+00 Hb(Abramov) -0.4747304E-01 Ex_ueg -0.5547580E-01 Ec_ueg -0.8027403E-02 Delta_ex -0.8693407E-01 Delta_ec 0.2643571E-01 Delta_et -0.3632860E+00 Pxc 0.6910803E+01 Qxc -0.3288508E+01 3,-1 101 3 +1 0.522176 1.680766 0.487918 Rho 0.8973165E-02 |GRAD(Rho)| 0.4407655E-14 GRAD(Rho)x -0.2253979E-14 GRAD(Rho)y -0.3291249E-14 GRAD(Rho)z -0.1874750E-14 Laplacian 0.3564967E-01 (-1/4)Del**2(Rho)) -0.8912417E-02 Diamond 0.9856617E-03 Metallicity 0.7489745E+00 Ellipticity -0.1416341E+01 Gb(Abramov) 0.7054140E-02 Vb(Abramov) -0.5195864E-02 Hb(Abramov) 0.1858277E-02 Ex_ueg -0.1377144E-02 Ec_ueg -0.3217073E-03 Delta_ex -0.1635508E-02 Delta_ec 0.4824578E-03 Delta_et -0.3349121E-02 Pxc 0.4280735E+01 Qxc -0.3389950E+01 3,+1 102 3 -1 1.797146 -0.547107 -2.757083 Rho 0.1444323E+00 |GRAD(Rho)| 0.4687902E-13 GRAD(Rho)x -0.3221016E-14 GRAD(Rho)y 0.4465947E-13 GRAD(Rho)z -0.1388524E-13 Laplacian 0.6123852E+00 (-1/4)Del**2(Rho)) -0.1530963E+00 Diamond 0.1188592E+01 Metallicity 0.4473997E+01 Ellipticity 0.8605246E-02 Gb(Abramov) 0.2162229E+00 Vb(Abramov) -0.2793496E+00 Hb(Abramov) -0.6312664E-01 Ex_ueg -0.5596771E-01 Ec_ueg -0.8088059E-02 Delta_ex -0.6518572E-01 Delta_ec 0.1573425E-01 Delta_et -0.2084401E+00 Pxc 0.6919794E+01 Qxc -0.4142918E+01 3,-1 103 3 -1 0.553548 1.705216 -1.724930 Rho 0.5153999E-01 |GRAD(Rho)| 0.1697021E-15 GRAD(Rho)x -0.5630376E-16 GRAD(Rho)y 0.1530597E-15 GRAD(Rho)z -0.4691927E-16 Laplacian 0.2013505E+00 (-1/4)Del**2(Rho)) -0.5033761E-01 Diamond 0.1034043E+00 Metallicity 0.2442874E+01 Ellipticity 0.9590646E-02 Gb(Abramov) 0.5405315E-01 Vb(Abramov) -0.5776869E-01 Hb(Abramov) -0.3715538E-02 Ex_ueg -0.1416590E-01 Ec_ueg -0.2500174E-02 Delta_ex -0.1657822E-01 Delta_ec 0.5779104E-02 Delta_et -0.6135482E-01 Pxc 0.5665965E+01 Qxc -0.2868650E+01 3,-1 104 3 -1 1.724308 -0.520415 1.703240 Rho 0.4384645E-01 |GRAD(Rho)| 0.8062266E-16 GRAD(Rho)x 0.7203719E-16 GRAD(Rho)y 0.2632621E-16 GRAD(Rho)z 0.2485131E-16 Laplacian 0.1680963E+00 (-1/4)Del**2(Rho)) -0.4202406E-01 Diamond 0.6887313E-01 Metallicity 0.2235008E+01 Ellipticity 0.1120895E-01 Gb(Abramov) 0.4367006E-01 Vb(Abramov) -0.4531606E-01 Hb(Abramov) -0.1646000E-02 Ex_ueg -0.1141908E-01 Ec_ueg -0.2077663E-02 Delta_ex -0.1326493E-01 Delta_ec 0.4792780E-02 Delta_et -0.4877873E-01 Pxc 0.5496115E+01 Qxc -0.2767690E+01 3,-1 105 3 +1 1.236426 -1.193222 2.143660 Rho 0.2717039E-01 |GRAD(Rho)| 0.7397352E-14 GRAD(Rho)x 0.3965815E-14 GRAD(Rho)y 0.8837830E-15 GRAD(Rho)z 0.6181590E-14 Laplacian 0.1060226E+00 (-1/4)Del**2(Rho)) -0.2650565E-01 Diamond 0.1601218E-01 Metallicity 0.1596031E+01 Ellipticity -0.5510883E+01 Gb(Abramov) 0.2472107E-01 Vb(Abramov) -0.2293649E-01 Hb(Abramov) 0.1784579E-02 Ex_ueg -0.6032717E-02 Ec_ueg -0.1198599E-02 Delta_ex -0.6787523E-02 Delta_ec 0.1879146E-02 Delta_et -0.1691281E-01 Pxc 0.5033141E+01 Qxc -0.3612025E+01 3,+1 106 3 -1 -0.520482 1.716808 1.686025 Rho 0.4555272E-01 |GRAD(Rho)| 0.4343855E-13 GRAD(Rho)x 0.6978066E-14 GRAD(Rho)y 0.2390479E-13 GRAD(Rho)z 0.3559179E-13 Laplacian 0.1743294E+00 (-1/4)Del**2(Rho)) -0.4358234E-01 Diamond 0.7551444E-01 Metallicity 0.2296676E+01 Ellipticity 0.1724678E-01 Gb(Abramov) 0.4573732E-01 Vb(Abramov) -0.4789229E-01 Hb(Abramov) -0.2154976E-02 Ex_ueg -0.1201538E-01 Ec_ueg -0.2170561E-02 Delta_ex -0.1390346E-01 Delta_ec 0.4993463E-02 Delta_et -0.5133813E-01 Pxc 0.5535611E+01 Qxc -0.2784332E+01 3,-1 107 3 +3 2.343535 0.049858 -0.013695 Rho 0.4926046E-02 |GRAD(Rho)| 0.7022198E-17 GRAD(Rho)x -0.3191822E-17 GRAD(Rho)y -0.5909612E-17 GRAD(Rho)z 0.2049399E-17 Laplacian 0.2074297E-01 (-1/4)Del**2(Rho)) -0.5185743E-02 Diamond 0.2086383E-03 Metallicity 0.4737759E+00 Ellipticity -0.3070234E+00 Gb(Abramov) 0.3866642E-02 Vb(Abramov) -0.2547541E-02 Hb(Abramov) 0.1319101E-02 Ex_ueg -0.6190366E-03 Ec_ueg -0.1437316E-03 Delta_ex -0.7768852E-03 Delta_ec 0.2041898E-03 Delta_et -0.1285790E-02 Pxc 0.4306892E+01 Qxc -0.3804721E+01 3,+3 108 3 +1 1.686701 0.523303 0.503710 Rho 0.8833335E-02 |GRAD(Rho)| 0.1283806E-16 GRAD(Rho)x -0.8018641E-17 GRAD(Rho)y -0.9414201E-17 GRAD(Rho)z 0.3448196E-17 Laplacian 0.3498131E-01 (-1/4)Del**2(Rho)) -0.8745329E-02 Diamond 0.9502262E-03 Metallicity 0.7435637E+00 Ellipticity -0.1417665E+01 Gb(Abramov) 0.6914004E-02 Vb(Abramov) -0.5082679E-02 Hb(Abramov) 0.1831325E-02 Ex_ueg -0.1348605E-02 Ec_ueg -0.3154322E-03 Delta_ex -0.1599958E-02 Delta_ec 0.4761667E-03 Delta_et -0.3289991E-02 Pxc 0.4275418E+01 Qxc -0.3360080E+01 3,+1 109 3 -1 1.991015 2.980044 -0.864689 Rho 0.1400370E+00 |GRAD(Rho)| 0.3423453E-15 GRAD(Rho)x -0.1774568E-15 GRAD(Rho)y 0.5865534E-16 GRAD(Rho)z -0.2868257E-15 Laplacian 0.5534566E+00 (-1/4)Del**2(Rho)) -0.1383642E+00 Diamond 0.1041214E+01 Metallicity 0.4701836E+01 Ellipticity 0.3093265E-01 Gb(Abramov) 0.2006704E+00 Vb(Abramov) -0.2629766E+00 Hb(Abramov) -0.6230622E-01 Ex_ueg -0.5370838E-01 Ec_ueg -0.7808820E-02 Delta_ex -0.5853771E-01 Delta_ec 0.1444771E-01 Delta_et -0.1907672E+00 Pxc 0.6877912E+01 Qxc -0.4051695E+01 3,-1 110 3 -1 1.718011 1.706188 -0.538000 Rho 0.4949294E-01 |GRAD(Rho)| 0.2711411E-13 GRAD(Rho)x -0.1499955E-13 GRAD(Rho)y -0.2148498E-13 GRAD(Rho)z -0.6970250E-14 Laplacian 0.1924587E+00 (-1/4)Del**2(Rho)) -0.4811467E-01 Diamond 0.9342912E-01 Metallicity 0.2388807E+01 Ellipticity 0.6810629E-02 Gb(Abramov) 0.5123256E-01 Vb(Abramov) -0.5435045E-01 Hb(Abramov) -0.3117889E-02 Ex_ueg -0.1342073E-01 Ec_ueg -0.2386865E-02 Delta_ex -0.1567923E-01 Delta_ec 0.5517243E-02 Delta_et -0.5796341E-01 Pxc 0.5622743E+01 Qxc -0.2841859E+01 3,-1 111 3 -1 2.730841 -1.750374 -0.518587 Rho 0.1652934E+00 |GRAD(Rho)| 0.1166250E-13 GRAD(Rho)x -0.3959723E-14 GRAD(Rho)y 0.1046808E-13 GRAD(Rho)z -0.3279305E-14 Laplacian 0.7096021E+00 (-1/4)Del**2(Rho)) -0.1774005E+00 Diamond 0.1591534E+01 Metallicity 0.4834567E+01 Ellipticity 0.2647546E-01 Gb(Abramov) 0.2612095E+00 Vb(Abramov) -0.3450184E+00 Hb(Abramov) -0.8380895E-01 Ex_ueg -0.6699759E-01 Ec_ueg -0.9429597E-02 Delta_ex -0.7784426E-01 Delta_ec 0.1718903E-01 Delta_et -0.2307309E+00 Pxc 0.7105033E+01 Qxc -0.4528719E+01 3,-1 112 3 +1 2.887952 0.190843 -0.161050 Rho 0.5496304E-02 |GRAD(Rho)| 0.5945509E-16 GRAD(Rho)x 0.3456771E-17 GRAD(Rho)y 0.3497038E-16 GRAD(Rho)z -0.4795863E-16 Laplacian 0.2324011E-01 (-1/4)Del**2(Rho)) -0.5810027E-02 Diamond 0.5675009E-03 Metallicity 0.5075664E+00 Ellipticity -0.2167118E+01 Gb(Abramov) 0.4364847E-02 Vb(Abramov) -0.2919667E-02 Hb(Abramov) 0.1445180E-02 Ex_ueg -0.7163842E-03 Ec_ueg -0.1683329E-03 Delta_ex -0.1137624E-02 Delta_ec 0.6616543E-03 Delta_et -0.3724863E-02 Pxc 0.4255759E+01 Qxc -0.1719363E+01 3,+1 113 3 +1 2.154818 -1.036765 1.383639 Rho 0.2948052E-01 |GRAD(Rho)| 0.7211111E-16 GRAD(Rho)x -0.7165920E-16 GRAD(Rho)y 0.6095259E-17 GRAD(Rho)z 0.5274393E-17 Laplacian 0.1129687E+00 (-1/4)Del**2(Rho)) -0.2824217E-01 Diamond 0.1574906E-01 Metallicity 0.1716118E+01 Ellipticity -0.2568574E+01 Gb(Abramov) 0.2690593E-01 Vb(Abramov) -0.2556969E-01 Hb(Abramov) 0.1336241E-02 Ex_ueg -0.6726131E-02 Ec_ueg -0.1316843E-02 Delta_ex -0.7100561E-02 Delta_ec 0.1482324E-02 Delta_et -0.1366080E-01 Pxc 0.5107769E+01 Qxc -0.4790155E+01 3,+1 114 3 -1 2.988134 -0.837943 2.004662 Rho 0.1424771E+00 |GRAD(Rho)| 0.8863272E-16 GRAD(Rho)x -0.5269223E-16 GRAD(Rho)y -0.3514170E-16 GRAD(Rho)z 0.6200281E-16 Laplacian 0.5677994E+00 (-1/4)Del**2(Rho)) -0.1419499E+00 Diamond 0.1091380E+01 Metallicity 0.4716937E+01 Ellipticity 0.4247061E-01 Gb(Abramov) 0.2062280E+00 Vb(Abramov) -0.2705061E+00 Hb(Abramov) -0.6427814E-01 Ex_ueg -0.5495981E-01 Ec_ueg -0.7963694E-02 Delta_ex -0.6031597E-01 Delta_ec 0.1477500E-01 Delta_et -0.1956328E+00 Pxc 0.6901296E+01 Qxc -0.4082298E+01 3,-1 115 3 +1 2.175228 1.263140 -1.185895 Rho 0.2957385E-01 |GRAD(Rho)| 0.7219782E-15 GRAD(Rho)x 0.7992079E-16 GRAD(Rho)y -0.4544239E-15 GRAD(Rho)z 0.5553055E-15 Laplacian 0.1171382E+00 (-1/4)Del**2(Rho)) -0.2928454E-01 Diamond 0.1928581E-01 Metallicity 0.1663775E+01 Ellipticity -0.4921353E+01 Gb(Abramov) 0.2764351E-01 Vb(Abramov) -0.2600248E-01 Hb(Abramov) 0.1641032E-02 Ex_ueg -0.6754537E-02 Ec_ueg -0.1321647E-02 Delta_ex -0.7619464E-02 Delta_ec 0.1983984E-02 Delta_et -0.1823733E-01 Pxc 0.5110697E+01 Qxc -0.3840487E+01 3,+1 116 3 -1 2.756526 -0.541176 -1.774338 Rho 0.1225943E+00 |GRAD(Rho)| 0.1817662E-09 GRAD(Rho)x 0.3938103E-10 GRAD(Rho)y -0.1175183E-09 GRAD(Rho)z 0.1329568E-09 Laplacian 0.5100441E+00 (-1/4)Del**2(Rho)) -0.1275110E+00 Diamond 0.8246820E+00 Metallicity 0.4087481E+01 Ellipticity 0.1705137E-01 Gb(Abramov) 0.1718739E+00 Vb(Abramov) -0.2162367E+00 Hb(Abramov) -0.4436282E-01 Ex_ueg -0.4497923E-01 Ec_ueg -0.6713000E-02 Delta_ex -0.5233559E-01 Delta_ec 0.1390322E-01 Delta_et -0.1798991E+00 Pxc 0.6700318E+01 Qxc -0.3764278E+01 3,-1 117 3 -1 1.712049 0.540344 -1.723734 Rho 0.5270569E-01 |GRAD(Rho)| 0.3336217E-15 GRAD(Rho)x 0.1649152E-15 GRAD(Rho)y 0.1844414E-15 GRAD(Rho)z -0.2238030E-15 Laplacian 0.2065232E+00 (-1/4)Del**2(Rho)) -0.5163079E-01 Diamond 0.1094386E+00 Metallicity 0.2472143E+01 Ellipticity 0.9259791E-02 Gb(Abramov) 0.5569365E-01 Vb(Abramov) -0.5975650E-01 Hb(Abramov) -0.4062855E-02 Ex_ueg -0.1459470E-01 Ec_ueg -0.2564972E-02 Delta_ex -0.1710524E-01 Delta_ec 0.5933823E-02 Delta_et -0.6336231E-01 Pxc 0.5690004E+01 Qxc -0.2882667E+01 3,-1 118 3 -1 -3.167596 -3.168833 0.057091 Rho 0.2537230E+00 |GRAD(Rho)| 0.1690934E-10 GRAD(Rho)x -0.1176202E-10 GRAD(Rho)y -0.1174528E-10 GRAD(Rho)z 0.3103084E-11 Laplacian 0.9311939E+00 (-1/4)Del**2(Rho)) -0.2327985E+00 Diamond 0.3497305E+01 Metallicity 0.7524993E+01 Ellipticity 0.1371196E-02 Gb(Abramov) 0.4471668E+00 Vb(Abramov) -0.6615351E+00 Hb(Abramov) -0.2143683E+00 Ex_ueg -0.1186310E+00 Ec_ueg -0.1539290E-01 Delta_ex -0.1140392E+00 Delta_ec 0.2001742E-01 Delta_et -0.2766765E+00 Pxc 0.7706865E+01 Qxc -0.5697000E+01 3,-1 119 3 -1 -2.967407 -1.967963 -0.863040 Rho 0.1408673E+00 |GRAD(Rho)| 0.2869090E-12 GRAD(Rho)x 0.1183449E-12 GRAD(Rho)y -0.1571406E-12 GRAD(Rho)z 0.2088494E-12 Laplacian 0.5547062E+00 (-1/4)Del**2(Rho)) -0.1386766E+00 Diamond 0.1051289E+01 Metallicity 0.4737697E+01 Ellipticity 0.3179224E-01 Gb(Abramov) 0.2019523E+00 Vb(Abramov) -0.2652280E+00 Hb(Abramov) -0.6327574E-01 Ex_ueg -0.5413342E-01 Ec_ueg -0.7861480E-02 Delta_ex -0.5875735E-01 Delta_ec 0.1446513E-01 Delta_et -0.1911813E+00 Pxc 0.6885907E+01 Qxc -0.4062000E+01 3,-1 120 3 -1 -2.753785 -1.782836 0.559986 Rho 0.1431037E+00 |GRAD(Rho)| 0.3688918E-12 GRAD(Rho)x 0.8612073E-13 GRAD(Rho)y -0.2645926E-12 GRAD(Rho)z -0.2421881E-12 Laplacian 0.6071697E+00 (-1/4)Del**2(Rho)) -0.1517924E+00 Diamond 0.1167905E+01 Metallicity 0.4443458E+01 Ellipticity 0.8615246E-02 Gb(Abramov) 0.2136088E+00 Vb(Abramov) -0.2754252E+00 Hb(Abramov) -0.6181640E-01 Ex_ueg -0.5528230E-01 Ec_ueg -0.8003522E-02 Delta_ex -0.6451076E-01 Delta_ec 0.1568191E-01 Delta_et -0.2075640E+00 Pxc 0.6907247E+01 Qxc -0.4113705E+01 3,-1 121 3 +1 -1.190476 -1.248631 -2.193080 Rho 0.2897583E-01 |GRAD(Rho)| 0.3491644E-16 GRAD(Rho)x 0.1573141E-16 GRAD(Rho)y -0.1422880E-17 GRAD(Rho)z 0.3113930E-16 Laplacian 0.1114950E+00 (-1/4)Del**2(Rho)) -0.2787374E-01 Diamond 0.1708743E-01 Metallicity 0.1689472E+01 Ellipticity -0.3991925E+01 Gb(Abramov) 0.2643114E-01 Vb(Abramov) -0.2498855E-01 Hb(Abramov) 0.1442594E-02 Ex_ueg -0.6573039E-02 Ec_ueg -0.1290901E-02 Delta_ex -0.7144763E-02 Delta_ec 0.1767421E-02 Delta_et -0.1618235E-01 Pxc 0.5091822E+01 Qxc -0.4042479E+01 3,+1 122 3 -1 -2.983918 0.864713 1.971460 Rho 0.1420016E+00 |GRAD(Rho)| 0.5224796E-13 GRAD(Rho)x 0.2188919E-13 GRAD(Rho)y 0.2248311E-13 GRAD(Rho)z -0.4177585E-13 Laplacian 0.5664386E+00 (-1/4)Del**2(Rho)) -0.1416096E+00 Diamond 0.1084454E+01 Metallicity 0.4702000E+01 Ellipticity 0.4335466E-01 Gb(Abramov) 0.2053812E+00 Vb(Abramov) -0.2691527E+00 Hb(Abramov) -0.6377155E-01 Ex_ueg -0.5471540E-01 Ec_ueg -0.7933487E-02 Delta_ex -0.6012303E-01 Delta_ec 0.1475259E-01 Delta_et -0.1952396E+00 Pxc 0.6896766E+01 Qxc -0.4075422E+01 3,-1 123 3 -1 -0.854028 -2.984016 -1.978765 Rho 0.1478226E+00 |GRAD(Rho)| 0.1664410E-15 GRAD(Rho)x -0.1518019E-15 GRAD(Rho)y -0.3289198E-16 GRAD(Rho)z -0.5980730E-16 Laplacian 0.5842870E+00 (-1/4)Del**2(Rho)) -0.1460717E+00 Diamond 0.1169984E+01 Metallicity 0.4874033E+01 Ellipticity 0.4058122E-01 Gb(Abramov) 0.2160409E+00 Vb(Abramov) -0.2860101E+00 Hb(Abramov) -0.6996918E-01 Ex_ueg -0.5772620E-01 Ec_ueg -0.8304277E-02 Delta_ex -0.6258843E-01 Delta_ec 0.1499714E-01 Delta_et -0.1995000E+00 Pxc 0.6951382E+01 Qxc -0.4173358E+01 3,-1 124 3 +1 -0.206669 -2.877542 -0.193125 Rho 0.5792002E-02 |GRAD(Rho)| 0.6567524E-17 GRAD(Rho)x -0.5757749E-17 GRAD(Rho)y -0.2409197E-17 GRAD(Rho)z 0.2043639E-17 Laplacian 0.2458065E-01 (-1/4)Del**2(Rho)) -0.6145162E-02 Diamond 0.6201897E-03 Metallicity 0.5236820E+00 Ellipticity -0.2016998E+01 Gb(Abramov) 0.4633127E-02 Vb(Abramov) -0.3121091E-02 Hb(Abramov) 0.1512036E-02 Ex_ueg -0.7682278E-03 Ec_ueg -0.1811535E-03 Delta_ex -0.1197866E-02 Delta_ec 0.6672181E-03 Delta_et -0.3829255E-02 Pxc 0.4240756E+01 Qxc -0.1795314E+01 3,+1 125 3 -1 -1.777324 -2.753071 0.560900 Rho 0.1413525E+00 |GRAD(Rho)| 0.1084336E-15 GRAD(Rho)x 0.8378172E-16 GRAD(Rho)y 0.5351215E-16 GRAD(Rho)z -0.4330032E-16 Laplacian 0.5972628E+00 (-1/4)Del**2(Rho)) -0.1493157E+00 Diamond 0.1131601E+01 Metallicity 0.4425409E+01 Ellipticity 0.9224147E-02 Gb(Abramov) 0.2096743E+00 Vb(Abramov) -0.2700329E+00 Hb(Abramov) -0.6035862E-01 Ex_ueg -0.5438214E-01 Ec_ueg -0.7892267E-02 Delta_ex -0.6326389E-01 Delta_ec 0.1546512E-01 Delta_et -0.2043027E+00 Pxc 0.6890560E+01 Qxc -0.4090747E+01 3,-1 126 3 +1 1.223127 1.245881 -2.192717 Rho 0.2893228E-01 |GRAD(Rho)| 0.5134792E-16 GRAD(Rho)x -0.1239802E-16 GRAD(Rho)y -0.9112396E-17 GRAD(Rho)z 0.4898839E-16 Laplacian 0.1113741E+00 (-1/4)Del**2(Rho)) -0.2784351E-01 Diamond 0.1705889E-01 Metallicity 0.1687072E+01 Ellipticity -0.4008688E+01 Gb(Abramov) 0.2639134E-01 Vb(Abramov) -0.2493917E-01 Hb(Abramov) 0.1452171E-02 Ex_ueg -0.6559870E-02 Ec_ueg -0.1288665E-02 Delta_ex -0.7136364E-02 Delta_ec 0.1769556E-02 Delta_et -0.1619573E-01 Pxc 0.5090437E+01 Qxc -0.4032855E+01 3,+1 127 3 -1 0.564249 -1.793105 -2.750467 Rho 0.1412150E+00 |GRAD(Rho)| 0.5147106E-15 GRAD(Rho)x 0.3924947E-15 GRAD(Rho)y 0.3229025E-15 GRAD(Rho)z -0.8129483E-16 Laplacian 0.5983293E+00 (-1/4)Del**2(Rho)) -0.1495823E+00 Diamond 0.1132340E+01 Metallicity 0.4410361E+01 Ellipticity 0.9247719E-02 Gb(Abramov) 0.2096736E+00 Vb(Abramov) -0.2697648E+00 Hb(Abramov) -0.6009124E-01 Ex_ueg -0.5431162E-01 Ec_ueg -0.7883540E-02 Delta_ex -0.6336230E-01 Delta_ec 0.1549724E-01 Delta_et -0.2046987E+00 Pxc 0.6889243E+01 Qxc -0.4088619E+01 3,-1 128 3 -1 -1.680364 -0.542554 -1.730707 Rho 0.5282076E-01 |GRAD(Rho)| 0.9666052E-16 GRAD(Rho)x 0.4353411E-16 GRAD(Rho)y -0.4685638E-16 GRAD(Rho)z 0.7247426E-16 Laplacian 0.2070256E+00 (-1/4)Del**2(Rho)) -0.5175640E-01 Diamond 0.1100456E+00 Metallicity 0.2475124E+01 Ellipticity 0.9289986E-02 Gb(Abramov) 0.5585485E-01 Vb(Abramov) -0.5995330E-01 Hb(Abramov) -0.4098448E-02 Ex_ueg -0.1463720E-01 Ec_ueg -0.2571378E-02 Delta_ex -0.1715697E-01 Delta_ec 0.5949219E-02 Delta_et -0.6356255E-01 Pxc 0.5692355E+01 Qxc -0.2883903E+01 3,-1 129 3 +3 -0.031205 -2.303644 -0.011313 Rho 0.5091862E-02 |GRAD(Rho)| 0.6313669E-17 GRAD(Rho)x -0.1245440E-17 GRAD(Rho)y 0.3431129E-17 GRAD(Rho)z -0.5151568E-17 Laplacian 0.2146199E-01 (-1/4)Del**2(Rho)) -0.5365498E-02 Diamond 0.2154639E-03 Metallicity 0.4838799E+00 Ellipticity -0.3036911E+00 Gb(Abramov) 0.4009708E-02 Vb(Abramov) -0.2653918E-02 Hb(Abramov) 0.1355790E-02 Ex_ueg -0.6469746E-03 Ec_ueg -0.1508681E-03 Delta_ex -0.8012674E-03 Delta_ec 0.1945445E-03 Delta_et -0.1256513E-02 Pxc 0.4288345E+01 Qxc -0.4118685E+01 3,+3 130 3 -1 -0.570223 -1.773125 2.786213 Rho 0.1494690E+00 |GRAD(Rho)| 0.1281849E-15 GRAD(Rho)x 0.1098297E-15 GRAD(Rho)y -0.1029992E-17 GRAD(Rho)z -0.6608890E-16 Laplacian 0.6334337E+00 (-1/4)Del**2(Rho)) -0.1583584E+00 Diamond 0.1283707E+01 Metallicity 0.4579632E+01 Ellipticity 0.8661277E-02 Gb(Abramov) 0.2264428E+00 Vb(Abramov) -0.2945272E+00 Hb(Abramov) -0.6808441E-01 Ex_ueg -0.5858502E-01 Ec_ueg -0.8409532E-02 Delta_ex -0.6802069E-01 Delta_ec 0.1618428E-01 Delta_et -0.2155641E+00 Pxc 0.6966502E+01 Qxc -0.4202888E+01 3,-1 131 3 -1 -0.522709 -1.706859 -1.717432 Rho 0.5179832E-01 |GRAD(Rho)| 0.1601987E-15 GRAD(Rho)x 0.4709736E-16 GRAD(Rho)y -0.1330871E-15 GRAD(Rho)z -0.7571839E-16 Laplacian 0.2025018E+00 (-1/4)Del**2(Rho)) -0.5062545E-01 Diamond 0.1047197E+00 Metallicity 0.2449310E+01 Ellipticity 0.8959205E-02 Gb(Abramov) 0.5441654E-01 Vb(Abramov) -0.5820763E-01 Hb(Abramov) -0.3791089E-02 Ex_ueg -0.1426065E-01 Ec_ueg -0.2514517E-02 Delta_ex -0.1669482E-01 Delta_ec 0.5812985E-02 Delta_et -0.6179418E-01 Pxc 0.5671328E+01 Qxc -0.2871988E+01 3,-1 132 3 +1 -2.147610 -1.265467 -1.190068 Rho 0.2956281E-01 |GRAD(Rho)| 0.7694899E-14 GRAD(Rho)x -0.5890025E-14 GRAD(Rho)y -0.4724623E-14 GRAD(Rho)z 0.1482234E-14 Laplacian 0.1170005E+00 (-1/4)Del**2(Rho)) -0.2925013E-01 Diamond 0.1921759E-01 Metallicity 0.1664696E+01 Ellipticity -0.4861095E+01 Gb(Abramov) 0.2761551E-01 Vb(Abramov) -0.2598090E-01 Hb(Abramov) 0.1634615E-02 Ex_ueg -0.6751174E-02 Ec_ueg -0.1321078E-02 Delta_ex -0.7606648E-02 Delta_ec 0.1976126E-02 Delta_et -0.1816406E-01 Pxc 0.5110351E+01 Qxc -0.3849273E+01 3,+1 133 3 -1 0.891508 1.979828 -3.011065 Rho 0.1421644E+00 |GRAD(Rho)| 0.6933254E-16 GRAD(Rho)x 0.3037121E-16 GRAD(Rho)y -0.6101348E-16 GRAD(Rho)z 0.1272582E-16 Laplacian 0.5612618E+00 (-1/4)Del**2(Rho)) -0.1403154E+00 Diamond 0.1075320E+01 Metallicity 0.4754438E+01 Ellipticity 0.3416551E-01 Gb(Abramov) 0.2047305E+00 Vb(Abramov) -0.2691455E+00 Hb(Abramov) -0.6441502E-01 Ex_ueg -0.5479903E-01 Ec_ueg -0.7943825E-02 Delta_ex -0.5958265E-01 Delta_ec 0.1460027E-01 Delta_et -0.1932290E+00 Pxc 0.6898318E+01 Qxc -0.4080928E+01 3,-1 134 3 +3 1.083161 1.077032 1.100202 Rho 0.4964945E-02 |GRAD(Rho)| 0.1894131E-15 GRAD(Rho)x -0.9534510E-16 GRAD(Rho)y 0.1915932E-17 GRAD(Rho)z -0.1636550E-15 Laplacian 0.1934734E-01 (-1/4)Del**2(Rho)) -0.4836835E-02 Diamond 0.1326767E-03 Metallicity 0.5146548E+00 Ellipticity -0.8650862E-01 Gb(Abramov) 0.3639440E-02 Vb(Abramov) -0.2442045E-02 Hb(Abramov) 0.1197395E-02 Ex_ueg -0.6255629E-03 Ec_ueg -0.1454046E-03 Delta_ex -0.6660679E-03 Delta_ec 0.8332510E-04 Delta_et -0.6643589E-03 Pxc 0.4302224E+01 Qxc -0.7993604E+01 3,+3 135 3 +1 1.733297 1.747929 1.748954 Rho 0.1236241E-01 |GRAD(Rho)| 0.2104393E-16 GRAD(Rho)x 0.1157820E-16 GRAD(Rho)y 0.9768540E-17 GRAD(Rho)z -0.1460712E-16 Laplacian 0.6260841E-01 (-1/4)Del**2(Rho)) -0.1565210E-01 Diamond 0.2607809E-02 Metallicity 0.7274769E+00 Ellipticity -0.1244745E+01 Gb(Abramov) 0.1233249E-01 Vb(Abramov) -0.9012882E-02 Hb(Abramov) 0.3319610E-02 Ex_ueg -0.2111168E-02 Ec_ueg -0.4763250E-03 Delta_ex -0.3100248E-02 Delta_ec 0.8099639E-03 Delta_et -0.6119711E-02 Pxc 0.4432200E+01 Qxc -0.3827637E+01 3,+1 136 3 -1 0.568486 1.801426 2.779729 Rho 0.1497701E+00 |GRAD(Rho)| 0.3138502E-15 GRAD(Rho)x 0.2620788E-15 GRAD(Rho)y -0.9269929E-16 GRAD(Rho)z -0.1456829E-15 Laplacian 0.6347414E+00 (-1/4)Del**2(Rho)) -0.1586854E+00 Diamond 0.1289800E+01 Metallicity 0.4585549E+01 Ellipticity 0.8752007E-02 Gb(Abramov) 0.2270668E+00 Vb(Abramov) -0.2954483E+00 Hb(Abramov) -0.6838145E-01 Ex_ueg -0.5874240E-01 Ec_ueg -0.8428796E-02 Delta_ex -0.6819808E-01 Delta_ec 0.1621550E-01 Delta_et -0.2160548E+00 Pxc 0.6969252E+01 Qxc -0.4205733E+01 3,-1 137 3 +1 1.275308 2.162532 -1.200294 Rho 0.2927972E-01 |GRAD(Rho)| 0.6040728E-16 GRAD(Rho)x -0.1542216E-16 GRAD(Rho)y -0.5459741E-16 GRAD(Rho)z 0.2074415E-16 Laplacian 0.1155398E+00 (-1/4)Del**2(Rho)) -0.2888495E-01 Diamond 0.1875542E-01 Metallicity 0.1658924E+01 Ellipticity -0.4883558E+01 Gb(Abramov) 0.2724295E-01 Vb(Abramov) -0.2560096E-01 Hb(Abramov) 0.1641993E-02 Ex_ueg -0.6665115E-02 Ec_ueg -0.1306515E-02 Delta_ex -0.7494636E-02 Delta_ec 0.1955820E-02 Delta_et -0.1793595E-01 Pxc 0.5101447E+01 Qxc -0.3831966E+01 3,+1 138 3 -1 0.562009 2.767476 1.789267 Rho 0.1449412E+00 |GRAD(Rho)| 0.5977789E-15 GRAD(Rho)x -0.5465734E-15 GRAD(Rho)y -0.5360702E-16 GRAD(Rho)z 0.2360579E-15 Laplacian 0.6132563E+00 (-1/4)Del**2(Rho)) -0.1533141E+00 Diamond 0.1194004E+01 Metallicity 0.4493911E+01 Ellipticity 0.8036330E-02 Gb(Abramov) 0.2170393E+00 Vb(Abramov) -0.2807646E+00 Hb(Abramov) -0.6372526E-01 Ex_ueg -0.5623081E-01 Ec_ueg -0.8120470E-02 Delta_ex -0.6532084E-01 Delta_ec 0.1571847E-01 Delta_et -0.2082843E+00 Pxc 0.6924575E+01 Qxc -0.4155673E+01 3,-1 139 3 -1 1.955190 -2.925721 0.879202 Rho 0.1582913E+00 |GRAD(Rho)| 0.3933653E-15 GRAD(Rho)x -0.2265983E-16 GRAD(Rho)y -0.3340698E-16 GRAD(Rho)z 0.3912886E-15 Laplacian 0.6320148E+00 (-1/4)Del**2(Rho)) -0.1580037E+00 Diamond 0.1371254E+01 Metallicity 0.5050268E+01 Ellipticity 0.4557643E-01 Gb(Abramov) 0.2383293E+00 Vb(Abramov) -0.3186549E+00 Hb(Abramov) -0.8032561E-01 Ex_ueg -0.6324039E-01 Ec_ueg -0.8976373E-02 Delta_ex -0.6882546E-01 Delta_ec 0.1590356E-01 Delta_et -0.2134499E+00 Pxc 0.7045205E+01 Qxc -0.4327676E+01 3,-1 140 3 +1 0.152785 -2.868308 0.175828 Rho 0.5917742E-02 |GRAD(Rho)| 0.2841892E-16 GRAD(Rho)x 0.1885110E-16 GRAD(Rho)y 0.3447503E-17 GRAD(Rho)z 0.2098537E-16 Laplacian 0.2490101E-01 (-1/4)Del**2(Rho)) -0.6225253E-02 Diamond 0.7245336E-03 Metallicity 0.5357838E+00 Ellipticity -0.3761103E+01 Gb(Abramov) 0.4706067E-02 Vb(Abramov) -0.3186881E-02 Hb(Abramov) 0.1519186E-02 Ex_ueg -0.7905447E-03 Ec_ueg -0.1866183E-03 Delta_ex -0.1276611E-02 Delta_ec 0.7789615E-03 Delta_et -0.4451661E-02 Pxc 0.4236159E+01 Qxc -0.1638863E+01 3,+1 141 3 -1 1.759053 -2.716157 -0.519352 Rho 0.1566450E+00 |GRAD(Rho)| 0.4686543E-15 GRAD(Rho)x 0.2778268E-15 GRAD(Rho)y -0.8210799E-16 GRAD(Rho)z 0.3683848E-15 Laplacian 0.6640722E+00 (-1/4)Del**2(Rho)) -0.1660181E+00 Diamond 0.1407693E+01 Metallicity 0.4723443E+01 Ellipticity 0.1944863E-01 Gb(Abramov) 0.2413748E+00 Vb(Abramov) -0.3167316E+00 Hb(Abramov) -0.7535678E-01 Ex_ueg -0.6236492E-01 Ec_ueg -0.8870237E-02 Delta_ex -0.7198755E-01 Delta_ec 0.1650014E-01 Delta_et -0.2205310E+00 Pxc 0.7030807E+01 Qxc -0.4362844E+01 3,-1 142 3 -1 3.160115 -3.151558 -0.014814 Rho 0.1740091E+00 |GRAD(Rho)| 0.2816638E-15 GRAD(Rho)x -0.2598019E-15 GRAD(Rho)y 0.6919920E-16 GRAD(Rho)z 0.8395791E-16 Laplacian 0.6835974E+00 (-1/4)Del**2(Rho)) -0.1708993E+00 Diamond 0.1684372E+01 Metallicity 0.5467214E+01 Ellipticity 0.1225197E+00 Gb(Abramov) 0.2696568E+00 Vb(Abramov) -0.3684142E+00 Hb(Abramov) -0.9875744E-01 Ex_ueg -0.7174876E-01 Ec_ueg -0.9997770E-02 Delta_ex -0.7640203E-01 Delta_ec 0.1712021E-01 Delta_et -0.2333904E+00 Pxc 0.7176476E+01 Qxc -0.4462680E+01 3,-1 143 3 -1 3.190854 0.077987 3.210676 Rho 0.2551859E+00 |GRAD(Rho)| 0.1596473E-14 GRAD(Rho)x -0.1008200E-14 GRAD(Rho)y -0.3350185E-15 GRAD(Rho)z -0.1191647E-14 Laplacian 0.9271675E+00 (-1/4)Del**2(Rho)) -0.2317919E+00 Diamond 0.3516330E+01 Metallicity 0.7630436E+01 Ellipticity 0.2015640E-02 Gb(Abramov) 0.4493068E+00 Vb(Abramov) -0.6668217E+00 Hb(Abramov) -0.2175149E+00 Ex_ueg -0.1195439E+00 Ec_ueg -0.1549518E-01 Delta_ex -0.1137670E+00 Delta_ec 0.1998288E-01 Delta_et -0.2766395E+00 Pxc 0.7714905E+01 Qxc -0.5693223E+01 3,-1 144 3 -1 2.992440 1.970581 -0.854286 Rho 0.1412763E+00 |GRAD(Rho)| 0.4262362E-15 GRAD(Rho)x 0.6269399E-16 GRAD(Rho)y -0.1772128E-15 GRAD(Rho)z -0.3825472E-15 Laplacian 0.5566560E+00 (-1/4)Del**2(Rho)) -0.1391640E+00 Diamond 0.1058513E+01 Metallicity 0.4743966E+01 Ellipticity 0.3250712E-01 Gb(Abramov) 0.2028075E+00 Vb(Abramov) -0.2664511E+00 Hb(Abramov) -0.6364355E-01 Ex_ueg -0.5434304E-01 Ec_ueg -0.7887429E-02 Delta_ex -0.5900383E-01 Delta_ec 0.1450286E-01 Delta_et -0.1917584E+00 Pxc 0.6889830E+01 Qxc -0.4068428E+01 3,-1 145 3 -1 -1.742858 2.730544 -0.552903 Rho 0.1566532E+00 |GRAD(Rho)| 0.2329460E-15 GRAD(Rho)x 0.6212478E-16 GRAD(Rho)y -0.1129197E-15 GRAD(Rho)z -0.1940451E-15 Laplacian 0.6634063E+00 (-1/4)Del**2(Rho)) -0.1658516E+00 Diamond 0.1408381E+01 Metallicity 0.4728598E+01 Ellipticity 0.1619944E-01 Gb(Abramov) 0.2412753E+00 Vb(Abramov) -0.3166990E+00 Hb(Abramov) -0.7542371E-01 Ex_ueg -0.6236928E-01 Ec_ueg -0.8870766E-02 Delta_ex -0.7193520E-01 Delta_ec 0.1651714E-01 Delta_et -0.2208434E+00 Pxc 0.7030879E+01 Qxc -0.4355185E+01 3,-1 146 3 -1 -2.719457 0.538727 -1.793233 Rho 0.1229436E+00 |GRAD(Rho)| 0.1739040E-15 GRAD(Rho)x -0.1597843E-16 GRAD(Rho)y -0.8267042E-17 GRAD(Rho)z 0.1729709E-15 Laplacian 0.5127829E+00 (-1/4)Del**2(Rho)) -0.1281957E+00 Diamond 0.8319776E+00 Metallicity 0.4084975E+01 Ellipticity 0.1738823E-01 Gb(Abramov) 0.1727432E+00 Vb(Abramov) -0.2172907E+00 Hb(Abramov) -0.4454749E-01 Ex_ueg -0.4515019E-01 Ec_ueg -0.6734745E-02 Delta_ex -0.5265260E-01 Delta_ec 0.1396924E-01 Delta_et -0.1808446E+00 Pxc 0.6704068E+01 Qxc -0.3769181E+01 3,-1 147 3 -1 -3.195369 -0.043517 3.180250 Rho 0.2550289E+00 |GRAD(Rho)| 0.5719002E-15 GRAD(Rho)x -0.1123233E-15 GRAD(Rho)y -0.1533333E-15 GRAD(Rho)z 0.5393906E-15 Laplacian 0.9283279E+00 (-1/4)Del**2(Rho)) -0.2320820E+00 Diamond 0.3516706E+01 Metallicity 0.7613084E+01 Ellipticity 0.2022733E-02 Gb(Abramov) 0.4491979E+00 Vb(Abramov) -0.6663139E+00 Hb(Abramov) -0.2171159E+00 Ex_ueg -0.1194458E+00 Ec_ueg -0.1548420E-01 Delta_ex -0.1138840E+00 Delta_ec 0.1999926E-01 Delta_et -0.2768043E+00 Pxc 0.7714045E+01 Qxc -0.5694410E+01 3,-1 148 3 -1 -1.948847 2.948572 0.842048 Rho 0.1603986E+00 |GRAD(Rho)| 0.4677268E-15 GRAD(Rho)x 0.2204183E-15 GRAD(Rho)y 0.2050497E-16 GRAD(Rho)z -0.4120239E-15 Laplacian 0.6373162E+00 (-1/4)Del**2(Rho)) -0.1593290E+00 Diamond 0.1396124E+01 Metallicity 0.5119872E+01 Ellipticity 0.3219690E-01 Gb(Abramov) 0.2421768E+00 Vb(Abramov) -0.3250245E+00 Hb(Abramov) -0.8284771E-01 Ex_ueg -0.6436540E-01 Ec_ueg -0.9112462E-02 Delta_ex -0.6955045E-01 Delta_ec 0.1584091E-01 Delta_et -0.2126140E+00 Pxc 0.7063447E+01 Qxc -0.4390559E+01 3,-1 149 3 -1 -0.525787 2.754193 -1.791120 Rho 0.1335632E+00 |GRAD(Rho)| 0.3002698E-15 GRAD(Rho)x -0.2335643E-15 GRAD(Rho)y 0.2878896E-16 GRAD(Rho)z 0.1864963E-15 Laplacian 0.5598153E+00 (-1/4)Del**2(Rho)) -0.1399538E+00 Diamond 0.9995380E+00 Metallicity 0.4295824E+01 Ellipticity 0.1517679E-01 Gb(Abramov) 0.1935054E+00 Vb(Abramov) -0.2470569E+00 Hb(Abramov) -0.5355156E-01 Ex_ueg -0.5042364E-01 Ec_ueg -0.7399778E-02 Delta_ex -0.5858866E-01 Delta_ec 0.1487626E-01 Delta_et -0.1951544E+00 Pxc 0.6814210E+01 Qxc -0.3938400E+01 3,-1 150 3 +1 1.040543 -2.135033 1.397198 Rho 0.2968821E-01 |GRAD(Rho)| 0.9889450E-14 GRAD(Rho)x -0.1546756E-14 GRAD(Rho)y -0.3501831E-14 GRAD(Rho)z -0.9118440E-14 Laplacian 0.1146729E+00 (-1/4)Del**2(Rho)) -0.2866823E-01 Diamond 0.1564636E-01 Metallicity 0.1710510E+01 Ellipticity -0.2348630E+01 Gb(Abramov) 0.2728504E-01 Vb(Abramov) -0.2590185E-01 Hb(Abramov) 0.1383194E-02 Ex_ueg -0.6789385E-02 Ec_ueg -0.1327536E-02 Delta_ex -0.7178930E-02 Delta_ec 0.1428108E-02 Delta_et -0.1319029E-01 Pxc 0.5114276E+01 Qxc -0.5026881E+01 3,+1 151 3 +1 1.732600 -1.722385 -1.708684 Rho 0.1251850E-01 |GRAD(Rho)| 0.8846486E-17 GRAD(Rho)x -0.1945105E-17 GRAD(Rho)y -0.6490840E-17 GRAD(Rho)z 0.5687343E-17 Laplacian 0.6345216E-01 (-1/4)Del**2(Rho)) -0.1586304E-01 Diamond 0.2693242E-02 Metallicity 0.7329715E+00 Ellipticity -0.1257464E+01 Gb(Abramov) 0.1251322E-01 Vb(Abramov) -0.9163398E-02 Hb(Abramov) 0.3349820E-02 Ex_ueg -0.2146782E-02 Ec_ueg -0.4835572E-03 Delta_ex -0.3153678E-02 Delta_ec 0.8230205E-03 Delta_et -0.6235771E-02 Pxc 0.4439562E+01 Qxc -0.3831834E+01 3,+1 152 3 -1 1.691147 -1.670613 0.517484 Rho 0.6646765E-01 |GRAD(Rho)| 0.3545531E-14 GRAD(Rho)x 0.2501761E-14 GRAD(Rho)y -0.2309361E-14 GRAD(Rho)z -0.9893624E-15 Laplacian 0.2548674E+00 (-1/4)Del**2(Rho)) -0.6371685E-01 Diamond 0.1822465E+00 Metallicity 0.2948828E+01 Ellipticity 0.8096037E-02 Gb(Abramov) 0.7379290E-01 Vb(Abramov) -0.8386895E-01 Hb(Abramov) -0.1007605E-01 Ex_ueg -0.1988530E-01 Ec_ueg -0.3343562E-02 Delta_ex -0.2231813E-01 Delta_ec 0.7155508E-02 Delta_et -0.8089068E-01 Pxc 0.5947340E+01 Qxc -0.3119013E+01 3,-1 153 3 -1 1.798382 0.577615 2.790861 Rho 0.1412318E+00 |GRAD(Rho)| 0.2954023E-14 GRAD(Rho)x 0.2542942E-14 GRAD(Rho)y -0.1254490E-14 GRAD(Rho)z -0.8282220E-15 Laplacian 0.5995242E+00 (-1/4)Del**2(Rho)) -0.1498811E+00 Diamond 0.1137947E+01 Metallicity 0.4402445E+01 Ellipticity 0.8588084E-02 Gb(Abramov) 0.2098945E+00 Vb(Abramov) -0.2699080E+00 Hb(Abramov) -0.6001350E-01 Ex_ueg -0.5432025E-01 Ec_ueg -0.7884607E-02 Delta_ex -0.6352504E-01 Delta_ec 0.1558908E-01 Delta_et -0.2060443E+00 Pxc 0.6889404E+01 Qxc -0.4074970E+01 3,-1 154 3 -1 1.991984 0.875294 -3.012242 Rho 0.1500366E+00 |GRAD(Rho)| 0.1578626E-14 GRAD(Rho)x 0.8635535E-15 GRAD(Rho)y -0.9836424E-15 GRAD(Rho)z 0.8824864E-15 Laplacian 0.5900487E+00 (-1/4)Del**2(Rho)) -0.1475122E+00 Diamond 0.1205361E+01 Metallicity 0.4947520E+01 Ellipticity 0.4143604E-01 Gb(Abramov) 0.2199780E+00 Vb(Abramov) -0.2924439E+00 Hb(Abramov) -0.7246585E-01 Ex_ueg -0.5888186E-01 Ec_ueg -0.8445860E-02 Delta_ex -0.6346184E-01 Delta_ec 0.1513491E-01 Delta_et -0.2018629E+00 Pxc 0.6971683E+01 Qxc -0.4193078E+01 3,-1 155 3 -1 2.769734 0.573883 1.816990 Rho 0.1436671E+00 |GRAD(Rho)| 0.1428586E-15 GRAD(Rho)x 0.3057450E-16 GRAD(Rho)y 0.1153320E-15 GRAD(Rho)z -0.7856400E-16 Laplacian 0.6073819E+00 (-1/4)Del**2(Rho)) -0.1518455E+00 Diamond 0.1171992E+01 Metallicity 0.4471092E+01 Ellipticity 0.8052800E-02 Gb(Abramov) 0.2143828E+00 Vb(Abramov) -0.2769202E+00 Hb(Abramov) -0.6253735E-01 Ex_ueg -0.5557270E-01 Ec_ueg -0.8039358E-02 Delta_ex -0.6457570E-01 Delta_ec 0.1563750E-01 Delta_et -0.2070217E+00 Pxc 0.6912580E+01 Qxc -0.4129541E+01 3,-1 156 3 -1 2.988461 0.864031 -1.980342 Rho 0.1464589E+00 |GRAD(Rho)| 0.2150080E-13 GRAD(Rho)x -0.8651703E-14 GRAD(Rho)y 0.1000008E-13 GRAD(Rho)z 0.1695378E-13 Laplacian 0.5789053E+00 (-1/4)Del**2(Rho)) -0.1447263E+00 Diamond 0.1145999E+01 Metallicity 0.4843937E+01 Ellipticity 0.4079132E-01 Gb(Abramov) 0.2133251E+00 Vb(Abramov) -0.2819238E+00 Hb(Abramov) -0.6859874E-01 Ex_ueg -0.5701721E-01 Ec_ueg -0.8217217E-02 Delta_ex -0.6186756E-01 Delta_ec 0.1488606E-01 Delta_et -0.1977425E+00 Pxc 0.6938749E+01 Qxc -0.4156073E+01 3,-1 157 3 -1 1.790367 2.764708 0.554030 Rho 0.1411526E+00 |GRAD(Rho)| 0.1493965E-13 GRAD(Rho)x 0.1278055E-13 GRAD(Rho)y 0.7659732E-14 GRAD(Rho)z -0.1085869E-14 Laplacian 0.5961012E+00 (-1/4)Del**2(Rho)) -0.1490253E+00 Diamond 0.1127881E+01 Metallicity 0.4423586E+01 Ellipticity 0.9362458E-02 Gb(Abramov) 0.2092212E+00 Vb(Abramov) -0.2694172E+00 Hb(Abramov) -0.6019594E-01 Ex_ueg -0.5427962E-01 Ec_ueg -0.7879579E-02 Delta_ex -0.6312340E-01 Delta_ec 0.1544807E-01 Delta_et -0.2040501E+00 Pxc 0.6888644E+01 Qxc -0.4086168E+01 3,-1 158 3 -1 3.184835 3.177521 0.059731 Rho 0.2537417E+00 |GRAD(Rho)| 0.3706432E-15 GRAD(Rho)x -0.3366448E-15 GRAD(Rho)y -0.1542820E-15 GRAD(Rho)z -0.1561251E-16 Laplacian 0.9314117E+00 (-1/4)Del**2(Rho)) -0.2328529E+00 Diamond 0.3498279E+01 Metallicity 0.7524159E+01 Ellipticity 0.1386012E-02 Gb(Abramov) 0.4472390E+00 Vb(Abramov) -0.6616251E+00 Hb(Abramov) -0.2143861E+00 Ex_ueg -0.1186427E+00 Ec_ueg -0.1539421E-01 Delta_ex -0.1140674E+00 Delta_ec 0.2002028E-01 Delta_et -0.2767098E+00 Pxc 0.7706968E+01 Qxc -0.5697591E+01 3,-1 159 3 -1 3.189526 -0.062579 -3.168601 Rho 0.2540867E+00 |GRAD(Rho)| 0.1065788E-14 GRAD(Rho)x 0.4582923E-15 GRAD(Rho)y -0.2372234E-15 GRAD(Rho)z -0.9325223E-15 Laplacian 0.9410239E+00 (-1/4)Del**2(Rho)) -0.2352560E+00 Diamond 0.3533357E+01 Metallicity 0.7464186E+01 Ellipticity 0.4678831E-02 Gb(Abramov) 0.4495030E+00 Vb(Abramov) -0.6637501E+00 Hb(Abramov) -0.2142471E+00 Ex_ueg -0.1188578E+00 Ec_ueg -0.1541832E-01 Delta_ex -0.1152522E+00 Delta_ec 0.2015846E-01 Delta_et -0.2783368E+00 Pxc 0.7708869E+01 Qxc -0.5717311E+01 3,-1 160 3 -1 -2.705779 1.760880 -0.547378 Rho 0.1651776E+00 |GRAD(Rho)| 0.1110319E-11 GRAD(Rho)x 0.1737737E-12 GRAD(Rho)y 0.8288011E-12 GRAD(Rho)z 0.7181217E-12 Laplacian 0.7087184E+00 (-1/4)Del**2(Rho)) -0.1771796E+00 Diamond 0.1601249E+01 Metallicity 0.4834941E+01 Ellipticity 0.1553538E-01 Gb(Abramov) 0.2608952E+00 Vb(Abramov) -0.3446108E+00 Hb(Abramov) -0.8371562E-01 Ex_ueg -0.6693497E-01 Ec_ueg -0.9422072E-02 Delta_ex -0.7784787E-01 Delta_ec 0.1737460E-01 Delta_et -0.2337548E+00 Pxc 0.7104061E+01 Qxc -0.4480555E+01 3,-1 161 3 -1 -1.799556 -0.546993 2.775720 Rho 0.1411008E+00 |GRAD(Rho)| 0.1511621E-15 GRAD(Rho)x -0.1444428E-15 GRAD(Rho)y 0.3126568E-16 GRAD(Rho)z -0.3176035E-16 Laplacian 0.5988627E+00 (-1/4)Del**2(Rho)) -0.1497157E+00 Diamond 0.1135356E+01 Metallicity 0.4400498E+01 Ellipticity 0.7953411E-02 Gb(Abramov) 0.2096143E+00 Vb(Abramov) -0.2695130E+00 Hb(Abramov) -0.5989868E-01 Ex_ueg -0.5425308E-01 Ec_ueg -0.7876294E-02 Delta_ex -0.6343987E-01 Delta_ec 0.1557407E-01 Delta_et -0.2058143E+00 Pxc 0.6888148E+01 Qxc -0.4073429E+01 3,-1 162 3 -1 -0.851666 -1.988503 -3.004340 Rho 0.1423300E+00 |GRAD(Rho)| 0.1729897E-13 GRAD(Rho)x 0.7899917E-14 GRAD(Rho)y -0.1390178E-13 GRAD(Rho)z -0.6601992E-14 Laplacian 0.5619842E+00 (-1/4)Del**2(Rho)) -0.1404961E+00 Diamond 0.1077956E+01 Metallicity 0.4757548E+01 Ellipticity 0.3471431E-01 Gb(Abramov) 0.2050668E+00 Vb(Abramov) -0.2696376E+00 Hb(Abramov) -0.6457076E-01 Ex_ueg -0.5488416E-01 Ec_ueg -0.7954346E-02 Delta_ex -0.5967354E-01 Delta_ec 0.1461007E-01 Delta_et -0.1933824E+00 Pxc 0.6899896E+01 Qxc -0.4084411E+01 3,-1 163 3 -1 0.082828 -3.190528 -3.159700 Rho 0.2540523E+00 |GRAD(Rho)| 0.1429576E-13 GRAD(Rho)x -0.2860803E-14 GRAD(Rho)y 0.1023942E-13 GRAD(Rho)z 0.9557134E-14 Laplacian 0.9384261E+00 (-1/4)Del**2(Rho)) -0.2346065E+00 Diamond 0.3524643E+01 Metallicity 0.7483157E+01 Ellipticity 0.3447954E-02 Gb(Abramov) 0.4490039E+00 Vb(Abramov) -0.6634013E+00 Hb(Abramov) -0.2143974E+00 Ex_ueg -0.1188363E+00 Ec_ueg -0.1541591E-01 Delta_ex -0.1149379E+00 Delta_ec 0.2011788E-01 Delta_et -0.2778446E+00 Pxc 0.7708679E+01 Qxc -0.5713219E+01 3,-1 164 3 -1 0.050665 -2.881767 0.070602 Rho 0.5929388E-02 |GRAD(Rho)| 0.5306312E-15 GRAD(Rho)x -0.1507195E-15 GRAD(Rho)y -0.4837932E-15 GRAD(Rho)z -0.1574717E-15 Laplacian 0.2440329E-01 (-1/4)Del**2(Rho)) -0.6100823E-02 Diamond 0.8175607E-03 Metallicity 0.5485058E+00 Ellipticity 0.3274044E+01 Gb(Abramov) 0.4624938E-02 Vb(Abramov) -0.3149053E-02 Hb(Abramov) 0.1475885E-02 Ex_ueg -0.7926198E-03 Ec_ueg -0.1871248E-03 Delta_ex -0.1329721E-02 Delta_ec 0.9029024E-03 Delta_et -0.5107508E-02 Pxc 0.4235781E+01 Qxc -0.1472719E+01 3,-1 165 3 -1 -0.068022 -3.163676 3.200925 Rho 0.2551129E+00 |GRAD(Rho)| 0.2015005E-12 GRAD(Rho)x 0.3649172E-13 GRAD(Rho)y 0.1415458E-12 GRAD(Rho)z -0.1386923E-12 Laplacian 0.9290215E+00 (-1/4)Del**2(Rho)) -0.2322554E+00 Diamond 0.3520929E+01 Metallicity 0.7611580E+01 Ellipticity 0.2026344E-02 Gb(Abramov) 0.4494753E+00 Vb(Abramov) -0.6666953E+00 Hb(Abramov) -0.2172199E+00 Ex_ueg -0.1194983E+00 Ec_ueg -0.1549008E-01 Delta_ex -0.1139799E+00 Delta_ec 0.2001391E-01 Delta_et -0.2770167E+00 Pxc 0.7714506E+01 Qxc -0.5695035E+01 3,-1 166 3 -1 0.554098 -2.753571 -1.767207 Rho 0.1338868E+00 |GRAD(Rho)| 0.2308850E-15 GRAD(Rho)x 0.9405454E-17 GRAD(Rho)y -0.4376789E-16 GRAD(Rho)z 0.2265034E-15 Laplacian 0.5609015E+00 (-1/4)Del**2(Rho)) -0.1402254E+00 Diamond 0.1004538E+01 Metallicity 0.4304831E+01 Ellipticity 0.1537027E-01 Gb(Abramov) 0.1940913E+00 Vb(Abramov) -0.2479573E+00 Hb(Abramov) -0.5386597E-01 Ex_ueg -0.5058659E-01 Ec_ueg -0.7420159E-02 Delta_ex -0.5873827E-01 Delta_ec 0.1489951E-01 Delta_et -0.1955417E+00 Pxc 0.6817453E+01 Qxc -0.3942295E+01 3,-1 167 3 -1 -0.558161 -2.747642 1.806239 Rho 0.1444755E+00 |GRAD(Rho)| 0.1229865E-14 GRAD(Rho)x 0.8897912E-15 GRAD(Rho)y 0.2434576E-15 GRAD(Rho)z 0.8133685E-15 Laplacian 0.6106584E+00 (-1/4)Del**2(Rho)) -0.1526646E+00 Diamond 0.1184395E+01 Metallicity 0.4488887E+01 Ellipticity 0.8142465E-02 Gb(Abramov) 0.2159921E+00 Vb(Abramov) -0.2793196E+00 Hb(Abramov) -0.6332749E-01 Ex_ueg -0.5599004E-01 Ec_ueg -0.8090812E-02 Delta_ex -0.6499334E-01 Delta_ec 0.1566496E-01 Delta_et -0.2074794E+00 Pxc 0.6920201E+01 Qxc -0.4148964E+01 3,-1 168 3 -1 0.885884 2.980903 -1.991759 Rho 0.1481208E+00 |GRAD(Rho)| 0.6269381E-12 GRAD(Rho)x -0.4480151E-12 GRAD(Rho)y -0.2346148E-12 GRAD(Rho)z -0.3705263E-12 Laplacian 0.5857109E+00 (-1/4)Del**2(Rho)) -0.1464277E+00 Diamond 0.1175592E+01 Metallicity 0.4878539E+01 Ellipticity 0.4083431E-01 Gb(Abramov) 0.2166774E+00 Vb(Abramov) -0.2869271E+00 Hb(Abramov) -0.7024966E-01 Ex_ueg -0.5788149E-01 Ec_ueg -0.8323325E-02 Delta_ex -0.6277108E-01 Delta_ec 0.1502470E-01 Delta_et -0.1999209E+00 Pxc 0.6954130E+01 Qxc -0.4177860E+01 3,-1 169 3 -1 2.952229 -1.928538 0.884997 Rho 0.1496444E+00 |GRAD(Rho)| 0.4948860E-15 GRAD(Rho)x -0.1042867E-15 GRAD(Rho)y -0.8021741E-16 GRAD(Rho)z -0.4770761E-15 Laplacian 0.5885161E+00 (-1/4)Del**2(Rho)) -0.1471290E+00 Diamond 0.1191434E+01 Metallicity 0.4938808E+01 Ellipticity 0.3777604E-01 Gb(Abramov) 0.2191930E+00 Vb(Abramov) -0.2912570E+00 Hb(Abramov) -0.7206399E-01 Ex_ueg -0.5867669E-01 Ec_ueg -0.8420753E-02 Delta_ex -0.6318623E-01 Delta_ec 0.1498010E-01 Delta_et -0.1994390E+00 Pxc 0.6968105E+01 Qxc -0.4218012E+01 3,-1 170 3 -1 3.865019 -4.369517 0.195947 Rho 0.3270689E+00 |GRAD(Rho)| 0.4714253E-15 GRAD(Rho)x -0.3565975E-15 GRAD(Rho)y -0.2462875E-16 GRAD(Rho)z -0.3073654E-15 Laplacian -0.1813568E+01 (-1/4)Del**2(Rho)) 0.4533921E+00 Diamond 0.6361107E+01 Metallicity -0.5899447E+01 Ellipticity 0.2466695E-02 Gb(Abramov) 0.1435324E+00 Vb(Abramov) -0.7404568E+00 Hb(Abramov) -0.5969244E+00 Ex_ueg -0.1664322E+00 Ec_ueg -0.2066623E-01 Delta_ex 0.1826677E+00 Delta_ec 0.6235975E-01 Delta_et -0.1497003E+01 Pxc 0.8053340E+01 Qxc 0.2929256E+01 3,-1 171 3 -1 -0.851074 1.984618 2.975015 Rho 0.1438677E+00 |GRAD(Rho)| 0.1079066E-11 GRAD(Rho)x -0.7127697E-12 GRAD(Rho)y -0.7849386E-12 GRAD(Rho)z -0.2005345E-12 Laplacian 0.5710086E+00 (-1/4)Del**2(Rho)) -0.1427522E+00 Diamond 0.1105849E+01 Metallicity 0.4766973E+01 Ellipticity 0.3340119E-01 Gb(Abramov) 0.2085841E+00 Vb(Abramov) -0.2744160E+00 Hb(Abramov) -0.6583190E-01 Ex_ueg -0.5567619E-01 Ec_ueg -0.8052122E-02 Delta_ex -0.6075236E-01 Delta_ec 0.1473728E-01 Delta_et -0.1952331E+00 Pxc 0.6914474E+01 Qxc -0.4122360E+01 3,-1 172 3 -1 0.846145 -1.954496 2.996960 Rho 0.1433345E+00 |GRAD(Rho)| 0.3684849E-15 GRAD(Rho)x -0.4133521E-16 GRAD(Rho)y -0.3379052E-15 GRAD(Rho)z -0.1410412E-15 Laplacian 0.5687206E+00 (-1/4)Del**2(Rho)) -0.1421802E+00 Diamond 0.1096299E+01 Metallicity 0.4756621E+01 Ellipticity 0.3270966E-01 Gb(Abramov) 0.2075030E+00 Vb(Abramov) -0.2728258E+00 Hb(Abramov) -0.6532280E-01 Ex_ueg -0.5540120E-01 Ec_ueg -0.8018198E-02 Delta_ex -0.6045183E-01 Delta_ec 0.1468747E-01 Delta_et -0.1944575E+00 Pxc 0.6909433E+01 Qxc -0.4115878E+01 3,-1 173 3 -1 2.767386 1.795884 0.570297 Rho 0.1430903E+00 |GRAD(Rho)| 0.2333455E-15 GRAD(Rho)x 0.7674796E-16 GRAD(Rho)y -0.1903995E-15 GRAD(Rho)z 0.1109410E-15 Laplacian 0.6073458E+00 (-1/4)Del**2(Rho)) -0.1518364E+00 Diamond 0.1167830E+01 Metallicity 0.4441475E+01 Ellipticity 0.8769094E-02 Gb(Abramov) 0.2136206E+00 Vb(Abramov) -0.2754048E+00 Hb(Abramov) -0.6178416E-01 Ex_ueg -0.5527539E-01 Ec_ueg -0.8002669E-02 Delta_ex -0.6452499E-01 Delta_ec 0.1568148E-01 Delta_et -0.2075439E+00 Pxc 0.6907120E+01 Qxc -0.4114726E+01 3,-1 174 3 -1 -2.944010 1.953141 0.846963 Rho 0.1500179E+00 |GRAD(Rho)| 0.8389418E-13 GRAD(Rho)x 0.3036780E-13 GRAD(Rho)y 0.4952812E-13 GRAD(Rho)z -0.6052269E-13 Laplacian 0.5894829E+00 (-1/4)Del**2(Rho)) -0.1473707E+00 Diamond 0.1196001E+01 Metallicity 0.4951235E+01 Ellipticity 0.3509126E-01 Gb(Abramov) 0.2198583E+00 Vb(Abramov) -0.2923460E+00 Hb(Abramov) -0.7248761E-01 Ex_ueg -0.5887203E-01 Ec_ueg -0.8444657E-02 Delta_ex -0.6331914E-01 Delta_ec 0.1497821E-01 Delta_et -0.1994438E+00 Pxc 0.6971512E+01 Qxc -0.4227418E+01 3,-1 175 3 -1 -1.676145 1.691046 0.498925 Rho 0.6317802E-01 |GRAD(Rho)| 0.1824218E-14 GRAD(Rho)x -0.1304603E-14 GRAD(Rho)y 0.1195857E-14 GRAD(Rho)z -0.4423913E-15 Laplacian 0.2412696E+00 (-1/4)Del**2(Rho)) -0.6031739E-01 Diamond 0.1610788E+00 Metallicity 0.2862336E+01 Ellipticity 0.8667718E-02 Gb(Abramov) 0.6898637E-01 Vb(Abramov) -0.7765534E-01 Hb(Abramov) -0.8668974E-02 Ex_ueg -0.1858402E-01 Ec_ueg -0.3155306E-02 Delta_ex -0.2085340E-01 Delta_ec 0.6780490E-02 Delta_et -0.7570908E-01 Pxc 0.5889769E+01 Qxc -0.3075501E+01 3,-1 176 3 -1 -0.525065 1.784881 -2.765913 Rho 0.1415301E+00 |GRAD(Rho)| 0.6819531E-15 GRAD(Rho)x -0.4061421E-15 GRAD(Rho)y -0.5449742E-15 GRAD(Rho)z 0.5578220E-16 Laplacian 0.5995481E+00 (-1/4)Del**2(Rho)) -0.1498870E+00 Diamond 0.1137545E+01 Metallicity 0.4417779E+01 Ellipticity 0.8946941E-02 Gb(Abramov) 0.2102860E+00 Vb(Abramov) -0.2706849E+00 Hb(Abramov) -0.6039894E-01 Ex_ueg -0.5447328E-01 Ec_ueg -0.7903544E-02 Delta_ex -0.6352429E-01 Delta_ec 0.1551760E-01 Delta_et -0.2050306E+00 Pxc 0.6892261E+01 Qxc -0.4093693E+01 3,-1 177 3 -1 -0.041497 3.179681 -3.182317 Rho 0.2540706E+00 |GRAD(Rho)| 0.1018775E-14 GRAD(Rho)x -0.1195333E-15 GRAD(Rho)y 0.7986233E-15 GRAD(Rho)z -0.6211394E-15 Laplacian 0.9380955E+00 (-1/4)Del**2(Rho)) -0.2345239E+00 Diamond 0.3524177E+01 Metallicity 0.7486696E+01 Ellipticity 0.3621894E-02 Gb(Abramov) 0.4489841E+00 Vb(Abramov) -0.6634443E+00 Hb(Abramov) -0.2144602E+00 Ex_ueg -0.1188478E+00 Ec_ueg -0.1541719E-01 Delta_ex -0.1149019E+00 Delta_ec 0.2011448E-01 Delta_et -0.2778177E+00 Pxc 0.7708780E+01 Qxc -0.5712396E+01 3,-1 178 3 -1 -0.039798 2.893370 0.051913 Rho 0.5907350E-02 |GRAD(Rho)| 0.1532140E-16 GRAD(Rho)x 0.1148411E-16 GRAD(Rho)y 0.1903475E-17 GRAD(Rho)z 0.9961782E-17 Laplacian 0.2429709E-01 (-1/4)Del**2(Rho)) -0.6074272E-02 Diamond 0.8084300E-03 Metallicity 0.5474950E+00 Ellipticity 0.3507837E+01 Gb(Abramov) 0.4603787E-02 Vb(Abramov) -0.3133302E-02 Hb(Abramov) 0.1470485E-02 Ex_ueg -0.7886943E-03 Ec_ueg -0.1861664E-03 Delta_ex -0.1321893E-02 Delta_ec 0.8969709E-03 Delta_et -0.5068888E-02 Pxc 0.4236503E+01 Qxc -0.1473730E+01 3,-1 179 3 -1 0.060487 3.194841 3.175513 Rho 0.2549925E+00 |GRAD(Rho)| 0.8489858E-13 GRAD(Rho)x -0.1472043E-13 GRAD(Rho)y -0.6042248E-13 GRAD(Rho)z -0.5779448E-13 Laplacian 0.9299355E+00 (-1/4)Del**2(Rho)) -0.2324839E+00 Diamond 0.3521208E+01 Metallicity 0.7598118E+01 Ellipticity 0.2324994E-02 Gb(Abramov) 0.4493959E+00 Vb(Abramov) -0.6663079E+00 Hb(Abramov) -0.2169120E+00 Ex_ueg -0.1194231E+00 Ec_ueg -0.1548165E-01 Delta_ex -0.1140721E+00 Delta_ec 0.2002614E-01 Delta_et -0.2771345E+00 Pxc 0.7713846E+01 Qxc -0.5696158E+01 3,-1 180 3 -1 0.855793 -2.955769 1.998077 Rho 0.1318385E+00 |GRAD(Rho)| 0.3676176E-15 GRAD(Rho)x 0.2799274E-15 GRAD(Rho)y -0.1910771E-15 GRAD(Rho)z -0.1423829E-15 Laplacian 0.5288455E+00 (-1/4)Del**2(Rho)) -0.1322114E+00 Diamond 0.9264375E+00 Metallicity 0.4449948E+01 Ellipticity 0.3764537E-01 Gb(Abramov) 0.1861965E+00 Vb(Abramov) -0.2401817E+00 Hb(Abramov) -0.5398516E-01 Ex_ueg -0.4955736E-01 Ec_ueg -0.7291263E-02 Delta_ex -0.5513692E-01 Delta_ec 0.1402981E-01 Delta_et -0.1835355E+00 Pxc 0.6796814E+01 Qxc -0.3929984E+01 3,-1 181 3 -1 0.528732 -1.699435 1.700781 Rho 0.4505317E-01 |GRAD(Rho)| 0.1191345E-15 GRAD(Rho)x 0.1007334E-16 GRAD(Rho)y -0.1965815E-16 GRAD(Rho)z 0.1170688E-15 Laplacian 0.1724009E+00 (-1/4)Del**2(Rho)) -0.4310023E-01 Diamond 0.7362396E-01 Metallicity 0.2280075E+01 Ellipticity 0.1843427E-01 Gb(Abramov) 0.4511212E-01 Vb(Abramov) -0.4712400E-01 Hb(Abramov) -0.2011885E-02 Ex_ueg -0.1184001E-01 Ec_ueg -0.2143313E-02 Delta_ex -0.1371431E-01 Delta_ec 0.4943645E-02 Delta_et -0.5068026E-01 Pxc 0.5524164E+01 Qxc -0.2774128E+01 3,-1 182 3 -1 -3.160236 3.150969 -0.098444 Rho 0.1748423E+00 |GRAD(Rho)| 0.2850003E-12 GRAD(Rho)x 0.2069074E-12 GRAD(Rho)y -0.1774526E-12 GRAD(Rho)z 0.8321730E-13 Laplacian 0.6914026E+00 (-1/4)Del**2(Rho)) -0.1728507E+00 Diamond 0.1709069E+01 Metallicity 0.5448701E+01 Ellipticity 0.1153770E+00 Gb(Abramov) 0.2722024E+00 Vb(Abramov) -0.3715541E+00 Hb(Abramov) -0.9935171E-01 Ex_ueg -0.7220718E-01 Ec_ueg -0.1005232E-01 Delta_ex -0.7733132E-01 Delta_ec 0.1723155E-01 Delta_et -0.2348654E+00 Pxc 0.7183138E+01 Qxc -0.4487775E+01 3,-1 183 3 -1 -1.966885 -2.977362 -0.859763 Rho 0.1403513E+00 |GRAD(Rho)| 0.1889342E-13 GRAD(Rho)x 0.1491721E-13 GRAD(Rho)y 0.9427124E-14 GRAD(Rho)z -0.6750365E-14 Laplacian 0.5547787E+00 (-1/4)Del**2(Rho)) -0.1386947E+00 Diamond 0.1046464E+01 Metallicity 0.4708195E+01 Ellipticity 0.3134075E-01 Gb(Abramov) 0.2012967E+00 Vb(Abramov) -0.2638987E+00 Hb(Abramov) -0.6260202E-01 Ex_ueg -0.5386920E-01 Ec_ueg -0.7828751E-02 Delta_ex -0.5870896E-01 Delta_ec 0.1447335E-01 Delta_et -0.1911692E+00 Pxc 0.6880944E+01 Qxc -0.4056350E+01 3,-1 184 3 -1 1.978964 -0.835139 2.999628 Rho 0.1443535E+00 |GRAD(Rho)| 0.7735341E-15 GRAD(Rho)x 0.1270143E-15 GRAD(Rho)y 0.7331917E-15 GRAD(Rho)z -0.2113110E-15 Laplacian 0.5722523E+00 (-1/4)Del**2(Rho)) -0.1430631E+00 Diamond 0.1113145E+01 Metallicity 0.4783415E+01 Ellipticity 0.3194446E-01 Gb(Abramov) 0.2094304E+00 Vb(Abramov) -0.2757977E+00 Hb(Abramov) -0.6636732E-01 Ex_ueg -0.5592702E-01 Ec_ueg -0.8083045E-02 Delta_ex -0.6093891E-01 Delta_ec 0.1476449E-01 Delta_et -0.1957067E+00 Pxc 0.6919053E+01 Qxc -0.4127397E+01 3,-1 185 3 -1 -4.243710 3.752741 -0.815943 Rho 0.3274719E+00 |GRAD(Rho)| 0.1317456E-14 GRAD(Rho)x -0.4258293E-15 GRAD(Rho)y -0.1221378E-14 GRAD(Rho)z 0.2501898E-15 Laplacian -0.1822617E+01 (-1/4)Del**2(Rho)) 0.4556542E+00 Diamond 0.6401470E+01 Metallicity -0.5882217E+01 Ellipticity 0.2287929E-02 Gb(Abramov) 0.1429400E+00 Vb(Abramov) -0.7415343E+00 Hb(Abramov) -0.5985943E+00 Ex_ueg -0.1667057E+00 Ec_ueg -0.2069603E-01 Delta_ex 0.1836703E+00 Delta_ec 0.6266599E-01 Delta_et -0.1505134E+01 Pxc 0.8054958E+01 Qxc 0.2930941E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 181 130 167 172 180 165 131 127 166 162 123 163 103 176 149 133 168 177 106 136 138 171 78 179 152 111 141 169 139 142 110 173 157 144 109 158 175 160 145 174 148 182 89 120 125 119 183 118 128 146 65 57 74 64 68 62 161 122 71 147 104 155 153 114 184 143 117 116 102 156 154 159 98 84 100 90 88 87 178 164 170 185 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 21 22 25 26 45 47 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 23 24 27 28 55 54 2.429407 1.912148 1.926501 1.940989 1.971826 1.720756 2.367602 1.935356 1.957200 1.943963 1.929782 1.722067 2.369714 1.934511 1.958111 1.944418 1.928934 1.722044 2.424822 1.911344 1.925155 1.939568 1.975996 1.720906 2.257967 1.873689 1.895741 1.926586 1.903447 1.861340 2.386842 1.929534 1.935368 1.947713 1.950998 1.722710 2.280724 1.874171 1.895748 1.925452 1.897945 1.858399 2.387470 1.929567 1.934757 1.948945 1.950102 1.722739 2.358958 1.991644 1.927224 1.932590 1.923816 1.722081 2.432562 1.927724 1.934550 1.943467 1.938789 1.720874 2.440668 1.928498 1.934168 1.942298 1.938225 1.720671 2.359926 1.993245 1.926343 1.933476 1.923369 1.721932 1.653144 1.638149 1.638148 1.650640 3.236187 3.258406 3.208096 3.206224 0.981859 0.981393 2.429949 1.912529 1.926857 1.941623 1.972180 1.720759 2.368235 1.935755 1.957551 1.944588 1.930398 1.722070 2.370347 1.934914 1.958491 1.945042 1.929549 1.722049 2.425362 1.911724 1.925509 1.940198 1.976350 1.720911 2.258731 1.874243 1.896188 1.927296 1.904211 1.863444 2.387516 1.929883 1.935723 1.948332 1.951650 1.722714 2.281287 1.874724 1.896208 1.926158 1.898688 1.860211 2.388181 1.929918 1.935159 1.949600 1.950723 1.722745 2.359629 1.991967 1.927656 1.933221 1.924406 1.722083 2.433101 1.928082 1.934885 1.943883 1.939446 1.720876 2.441185 1.928853 1.934554 1.942751 1.938843 1.720675 2.360596 1.993596 1.926776 1.934105 1.923958 1.721935 1.653183 1.638150 1.638150 1.650671 3.245772 3.266898 3.219315 3.216997 0.982140 0.981669 27 26 23 23 25 20 27 25 23 27 23 23 27 27 25 25 23 22 27 26 23 23 27 22 27 24 23 23 23 23 27 23 23 23 25 22 29 23 23 23 23 23 30 23 25 25 23 23 27 23 26 23 28 21 27 23 23 23 26 20 27 23 26 25 23 22 27 26 25 23 24 20 23 23 22 27 35 35 35 35 18 18 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 W W W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O Si H H 2.5344 2.5310 2.5317 2.5305 2.6550 2.5329 2.6536 2.5321 2.5317 2.5334 2.5312 2.5312 -1.1688 -1.1780 -1.1770 -1.1674 -0.9472 -0.9193 -0.9249 -0.9472 -0.9481 -0.9468 -0.9480 -0.9471 -0.9277 -0.9464 -0.9463 -0.9284 -0.9307 -0.9380 -0.9382 -0.9290 -0.9426 -0.9349 -0.9424 -0.9347 -0.9386 -0.9246 -0.9335 -0.9385 -0.7207 -0.7207 -0.7207 -0.7207 -0.6789 -0.7260 -0.6748 -0.7262 -0.7190 -0.7222 -0.7220 -0.7188 2.5328 0.2988 0.3047 2.0840 2.0864 2.0859 2.0865 2.0801 2.0897 2.0771 2.0896 2.0879 2.0832 2.0831 2.0878 1.8944 1.8922 1.8922 1.8948 1.9354 1.9422 1.9415 1.9353 1.9353 1.9357 1.9353 1.9357 1.9389 1.9356 1.9356 1.9390 1.9511 1.9496 1.9496 1.9506 1.9486 1.9508 1.9487 1.9508 1.9496 1.9522 1.9512 1.9496 1.9778 1.9770 1.9770 1.9780 1.8783 1.9764 1.8776 1.9764 1.9771 1.9776 1.9777 1.9772 2.2819 0.6021 0.5968 6.0809 6.0815 6.0818 6.0820 6.0776 6.0805 6.0836 6.0809 6.0812 6.0804 6.0819 6.0808 5.2439 5.2554 5.2545 5.2424 4.9810 4.9456 4.9516 4.9812 4.9825 4.9797 4.9824 4.9801 4.9572 4.9803 4.9800 4.9578 4.9448 4.9546 4.9547 4.9438 4.9604 4.9491 4.9600 4.9489 4.9550 4.9379 4.9477 4.9550 4.7037 4.7047 4.7047 4.7036 4.7685 4.7109 4.7653 4.7111 4.7029 4.7055 4.7052 4.7025 6.5878 0.0991 0.0985 3.2714 3.2719 3.2713 3.2716 3.1559 3.2676 3.1542 3.2681 3.2700 3.2737 3.2745 3.2710 0.0304 0.0303 0.0303 0.0302 0.0307 0.0316 0.0318 0.0307 0.0303 0.0314 0.0303 0.0313 0.0316 0.0306 0.0306 0.0317 0.0348 0.0339 0.0339 0.0347 0.0336 0.0350 0.0337 0.0350 0.0340 0.0345 0.0345 0.0340 0.0391 0.0389 0.0389 0.0391 0.0321 0.0387 0.0318 0.0387 0.0390 0.0391 0.0391 0.0390 0.5975 0.0000 0.0000 14.0293 14.0293 14.0293 14.0293 14.0315 14.0293 14.0315 14.0292 14.0292 14.0293 14.0293 14.0292 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 W W W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O Si H H 2.528810 2.530440 2.530420 2.529019 2.582525 2.529598 2.581615 2.529516 2.529713 2.529126 2.528364 2.529473 -1.061645 -1.072512 -1.072874 -1.062619 -0.932199 -0.902238 -0.905662 -0.932607 -0.933679 -0.929997 -0.933730 -0.930098 -0.916889 -0.932252 -0.932219 -0.916625 -0.895825 -0.902883 -0.902881 -0.895030 -0.906909 -0.896183 -0.906528 -0.896103 -0.902907 -0.884701 -0.888590 -0.902880 -0.740034 -0.739836 -0.739769 -0.739688 -0.500467 -0.747147 -0.500737 -0.747341 -0.737804 -0.741291 -0.741191 -0.737292 1.768678 0.168025 0.166541 1.946807 1.952084 1.951988 1.951844 1.830568 1.948985 1.832756 1.948426 1.951081 1.949756 1.948921 1.953796 -0.760935 -0.785491 -0.784800 -0.762227 -0.695650 -0.650439 -0.655591 -0.695582 -0.694237 -0.697287 -0.694842 -0.697415 -0.662686 -0.697850 -0.695872 -0.660485 -0.696577 -0.732980 -0.731852 -0.697099 -0.734295 -0.728058 -0.732292 -0.728101 -0.733020 -0.688103 -0.688863 -0.733064 -0.619994 -0.618614 -0.618514 -0.618823 -0.641397 -0.629813 -0.635905 -0.630143 -0.615821 -0.621547 -0.621168 -0.615255 1.335878 0.449702 0.450096 2.043699 2.042303 2.044445 2.041271 2.041716 2.043094 2.054986 2.043812 2.041410 2.041964 2.045442 2.042730 -0.808571 -0.826636 -0.830379 -0.814659 -0.771449 -0.724175 -0.756313 -0.771482 -0.777339 -0.770990 -0.772123 -0.769631 -0.761139 -0.772075 -0.772268 -0.743384 -0.757882 -0.768457 -0.765531 -0.744473 -0.769585 -0.757550 -0.771583 -0.756958 -0.765978 -0.731130 -0.758757 -0.766485 -0.589318 -0.587392 -0.587318 -0.587286 -0.656971 -0.597904 -0.636197 -0.597904 -0.584925 -0.589163 -0.588827 -0.583735 1.289832 0.453896 0.473324 -1.24084455 -1.64853757 -1.44308983 2.51791175 19.49834627 -69.58462320 13.24995302 21.05403888 -12.06579999 -40.55238515 -427.8103 409.9927 -49.5226 -395.4529 -5.4951 -468.2882 Mar08-2024 15:19:20 Nodes: 1 Procs: 1 Mar08-2024 15:19:20 Nodes: 1 Procs: 1 0 Mar08-2024 15:19:21 Nodes: 1 Procs: 1 Mar08-2024 15:19:21 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar08-2024 15:19:22 Nodes: 1 Procs: 1 Mar08-2024 15:19:22 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar08-2024 15:19:23 Nodes: 1 Procs: 1 Mar08-2024 15:19:24 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar08-2024 15:19:26 Nodes: 1 Procs: 24 *** (NO TITLE) *** -2 -17.15998857 -17.18670548 -17.19609193 -17.20081392 -17.20403218 -17.20579388 -17.20627074 -17.20714245 -17.20778235 -17.20807550 -17.20826910 -17.20886510 -17.20895464 -17.20904871 -17.20923414 -17.20924931 -17.20927043 -17.20927517 GEOMETRY CONVERGED