ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 01:51:24 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.49 0.07 2.56 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun20-2024 01:51:24 Nodes: 1 Procs: 1 Jun20-2024 01:51:26 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 01:51:30 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.70 0.09 3.55 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun20-2024 01:51:24 Nodes: 1 Procs: 1 Jun20-2024 01:51:26 Nodes: 1 Procs: 1 0 Jun20-2024 01:51:30 Nodes: 1 Procs: 1 Jun20-2024 01:51:33 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 01:51:38 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.70 0.07 3.60 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 Jun20-2024 01:51:24 Nodes: 1 Procs: 1 Jun20-2024 01:51:26 Nodes: 1 Procs: 1 0 Jun20-2024 01:51:30 Nodes: 1 Procs: 1 Jun20-2024 01:51:33 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 01:51:38 Nodes: 1 Procs: 1 Jun20-2024 01:51:40 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 01:51:45 Arsenic (TZP, 3p frozen) c3-28 c3-28 c3-28 c3-28 c3-28 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.07 1.72 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 Jun20-2024 01:51:24 Nodes: 1 Procs: 1 Jun20-2024 01:51:26 Nodes: 1 Procs: 1 0 Jun20-2024 01:51:30 Nodes: 1 Procs: 1 Jun20-2024 01:51:33 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 01:51:38 Nodes: 1 Procs: 1 Jun20-2024 01:51:40 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 01:51:45 Nodes: 1 Procs: 1 Jun20-2024 01:51:46 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 01:51:51 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 1515.4878999999987 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3,-3 28 3 -3 -2.986948 0.293841 -2.168957 Rho 0.4361417E+07 3,-3 29 3 -3 -0.447535 0.602994 0.469994 Rho 0.4276100E+05 3,-3 30 3 -1 -2.262274 -0.101994 -1.189000 Rho 0.3894604E-01 |GRAD(Rho)| 0.1156208E-15 GRAD(Rho)x -0.6481941E-16 GRAD(Rho)y 0.5259715E-16 GRAD(Rho)z -0.8000099E-16 Laplacian 0.1465632E+00 (-1/4)Del**2(Rho)) -0.3664081E-01 Diamond 0.5030476E-01 Metallicity 0.2103909E+01 Ellipticity 0.1057808E+00 Gb(Abramov) 0.3727536E-01 Vb(Abramov) -0.3790991E-01 Hb(Abramov) -0.6345534E-03 Ex_ueg -0.9749959E-02 Ec_ueg -0.1813645E-02 Delta_ex -0.1117891E-01 Delta_ec 0.4096050E-02 Delta_et -0.4038812E-01 Pxc 0.5375893E+01 Qxc -0.2729193E+01 3,-1 31 3 -1 -3.673201 0.440446 -1.518209 Rho 0.2236335E+00 |GRAD(Rho)| 0.2693112E-15 GRAD(Rho)x -0.2384703E-15 GRAD(Rho)y 0.1779447E-16 GRAD(Rho)z 0.1238701E-15 Laplacian 0.8072728E+00 (-1/4)Del**2(Rho)) -0.2018182E+00 Diamond 0.2631070E+01 Metallicity 0.7033223E+01 Ellipticity 0.2055043E-02 Gb(Abramov) 0.3711175E+00 Vb(Abramov) -0.5404169E+00 Hb(Abramov) -0.1692993E+00 Ex_ueg -0.1002538E+00 Ec_ueg -0.1331509E-01 Delta_ex -0.9580964E-01 Delta_ec 0.1829433E-01 Delta_et -0.2529961E+00 Pxc 0.7529340E+01 Qxc -0.5237123E+01 3,-1 32 3 -1 -3.418743 0.458561 -3.005223 Rho 0.2225495E+00 |GRAD(Rho)| 0.1920390E-14 GRAD(Rho)x 0.1175221E-14 GRAD(Rho)y -0.1337905E-15 GRAD(Rho)z 0.1512896E-14 Laplacian 0.8272540E+00 (-1/4)Del**2(Rho)) -0.2068135E+00 Diamond 0.2665043E+01 Metallicity 0.6807985E+01 Ellipticity 0.9377590E-02 Gb(Abramov) 0.3725395E+00 Vb(Abramov) -0.5382656E+00 Hb(Abramov) -0.1657260E+00 Ex_ueg -0.9960638E-01 Ec_ueg -0.1324116E-01 Delta_ex -0.9796682E-01 Delta_ec 0.1861098E-01 Delta_et -0.2566593E+00 Pxc 0.7522484E+01 Qxc -0.5263926E+01 3,-1 33 3 +1 1.106012 1.037925 0.753510 Rho 0.1239795E-01 |GRAD(Rho)| 0.2051249E-12 GRAD(Rho)x 0.1718444E-12 GRAD(Rho)y -0.1995945E-13 GRAD(Rho)z 0.1102149E-12 Laplacian 0.4640764E-01 (-1/4)Del**2(Rho)) -0.1160191E-01 Diamond 0.1987772E-02 Metallicity 0.9861432E+00 Ellipticity -0.1653110E+01 Gb(Abramov) 0.9641464E-02 Vb(Abramov) -0.7681018E-02 Hb(Abramov) 0.1960446E-02 Ex_ueg -0.2119262E-02 Ec_ueg -0.4779706E-03 Delta_ex -0.2312805E-02 Delta_ec 0.6236613E-03 Delta_et -0.4697753E-02 Pxc 0.4433876E+01 Qxc -0.3708432E+01 3,+1 34 3 -1 -2.741530 -0.665234 -2.260560 Rho 0.1783375E+00 |GRAD(Rho)| 0.1828869E-09 GRAD(Rho)x 0.4872083E-10 GRAD(Rho)y -0.1759833E-09 GRAD(Rho)z -0.1018685E-10 Laplacian 0.6682505E+00 (-1/4)Del**2(Rho)) -0.1670626E+00 Diamond 0.1672233E+01 Metallicity 0.5826554E+01 Ellipticity 0.5392150E-01 Gb(Abramov) 0.2736083E+00 Vb(Abramov) -0.3801540E+00 Hb(Abramov) -0.1065457E+00 Ex_ueg -0.7413820E-01 Ec_ueg -0.1028158E-01 Delta_ex -0.7495971E-01 Delta_ec 0.1629627E-01 Delta_et -0.2218366E+00 Pxc 0.7210779E+01 Qxc -0.4599808E+01 3,-1 35 3 -1 -2.045045 -2.003196 -1.628903 Rho 0.8515790E-01 |GRAD(Rho)| 0.3548284E-13 GRAD(Rho)x 0.3622123E-14 GRAD(Rho)y -0.2476365E-13 GRAD(Rho)z 0.2515301E-13 Laplacian 0.3621273E+00 (-1/4)Del**2(Rho)) -0.9053182E-01 Diamond 0.3864178E+00 Metallicity 0.3136607E+01 Ellipticity 0.2248104E-01 Gb(Abramov) 0.1076817E+00 Vb(Abramov) -0.1248315E+00 Hb(Abramov) -0.1714986E-01 Ex_ueg -0.2767058E-01 Ec_ueg -0.4435117E-02 Delta_ex -0.3433655E-01 Delta_ec 0.1103957E-01 Delta_et -0.1331651E+00 Pxc 0.6238974E+01 Qxc -0.3110316E+01 3,-1 36 3 -1 -2.246906 -3.201132 -0.693451 Rho 0.2000843E+00 |GRAD(Rho)| 0.3339038E-14 GRAD(Rho)x -0.5341864E-15 GRAD(Rho)y 0.2288371E-14 GRAD(Rho)z -0.2372167E-14 Laplacian 0.7359649E+00 (-1/4)Del**2(Rho)) -0.1839912E+00 Diamond 0.2109438E+01 Metallicity 0.6408812E+01 Ellipticity 0.1016730E-01 Gb(Abramov) 0.3191884E+00 Vb(Abramov) -0.4543855E+00 Hb(Abramov) -0.1351971E+00 Ex_ueg -0.8643088E-01 Ec_ueg -0.1172365E-01 Delta_ex -0.8495861E-01 Delta_ec 0.1734103E-01 Delta_et -0.2384806E+00 Pxc 0.7372350E+01 Qxc -0.4899283E+01 3,-1 37 3 +1 -1.110271 0.931851 -0.955046 Rho 0.1294027E-01 |GRAD(Rho)| 0.8146900E-17 GRAD(Rho)x 0.1090026E-17 GRAD(Rho)y 0.3067583E-17 GRAD(Rho)z -0.7468184E-17 Laplacian 0.4897934E-01 (-1/4)Del**2(Rho)) -0.1224484E-01 Diamond 0.2346725E-02 Metallicity 0.1003473E+01 Ellipticity -0.1797268E+01 Gb(Abramov) 0.1021112E-01 Vb(Abramov) -0.8177401E-02 Hb(Abramov) 0.2033718E-02 Ex_ueg -0.2243759E-02 Ec_ueg -0.5031473E-03 Delta_ex -0.2500524E-02 Delta_ec 0.7150998E-03 Delta_et -0.5403119E-02 Pxc 0.4459447E+01 Qxc -0.3496748E+01 3,+1 38 3 -1 -2.289615 0.996998 -2.143077 Rho 0.1762352E+00 |GRAD(Rho)| 0.2057329E-13 GRAD(Rho)x -0.1508188E-13 GRAD(Rho)y -0.1397537E-13 GRAD(Rho)z -0.6975079E-15 Laplacian 0.7194392E+00 (-1/4)Del**2(Rho)) -0.1798598E+00 Diamond 0.1750459E+01 Metallicity 0.5306076E+01 Ellipticity 0.5624553E-02 Gb(Abramov) 0.2789648E+00 Vb(Abramov) -0.3780698E+00 Hb(Abramov) -0.9910502E-01 Ex_ueg -0.7297519E-01 Ec_ueg -0.1014360E-01 Delta_ex -0.8026573E-01 Delta_ec 0.1724886E-01 Delta_et -0.2334887E+00 Pxc 0.7194212E+01 Qxc -0.4653393E+01 3,-1 39 3 -1 -1.530963 -1.499043 -0.528960 Rho 0.7707527E-01 |GRAD(Rho)| 0.5991331E-16 GRAD(Rho)x 0.1785164E-16 GRAD(Rho)y 0.4694595E-16 GRAD(Rho)z -0.3266498E-16 Laplacian 0.3309438E+00 (-1/4)Del**2(Rho)) -0.8273594E-01 Diamond 0.3039367E+00 Metallicity 0.2906592E+01 Ellipticity 0.1122669E+00 Gb(Abramov) 0.9523723E-01 Vb(Abramov) -0.1077385E+00 Hb(Abramov) -0.1250128E-01 Ex_ueg -0.2422545E-01 Ec_ueg -0.3958752E-02 Delta_ex -0.3047168E-01 Delta_ec 0.9904994E-02 Delta_et -0.1165034E+00 Pxc 0.6119465E+01 Qxc -0.3076396E+01 3,-1 40 3 -1 -1.002865 0.066058 0.121020 Rho 0.1599282E+00 |GRAD(Rho)| 0.1671722E-12 GRAD(Rho)x -0.1164693E-13 GRAD(Rho)y 0.1432760E-12 GRAD(Rho)z 0.8533972E-13 Laplacian 0.3863117E+00 (-1/4)Del**2(Rho)) -0.9657791E-01 Diamond 0.8609222E+00 Metallicity 0.8405242E+01 Ellipticity 0.2243466E-01 Gb(Abramov) 0.1996787E+00 Vb(Abramov) -0.3027796E+00 Hb(Abramov) -0.1031008E+00 Ex_ueg -0.6411382E-01 Ec_ueg -0.9082059E-02 Delta_ex -0.4228885E-01 Delta_ec 0.9897163E-02 Delta_et -0.1335198E+00 Pxc 0.7059393E+01 Qxc -0.4272826E+01 3,-1 41 3 -1 -0.890126 -2.999032 -1.486360 Rho 0.2001079E+00 |GRAD(Rho)| 0.2461413E-10 GRAD(Rho)x 0.1546608E-10 GRAD(Rho)y -0.1024039E-10 GRAD(Rho)z -0.1617994E-10 Laplacian 0.7398947E+00 (-1/4)Del**2(Rho)) -0.1849737E+00 Diamond 0.2119348E+01 Metallicity 0.6376030E+01 Ellipticity 0.1170782E-01 Gb(Abramov) 0.3198821E+00 Vb(Abramov) -0.4547905E+00 Hb(Abramov) -0.1349084E+00 Ex_ueg -0.8644451E-01 Ec_ueg -0.1172524E-01 Delta_ex -0.8540361E-01 Delta_ec 0.1741301E-01 Delta_et -0.2394039E+00 Pxc 0.7372517E+01 Qxc -0.4904586E+01 3,-1 42 3 -1 -0.957602 -2.721725 0.029252 Rho 0.1332433E+00 |GRAD(Rho)| 0.2199830E-11 GRAD(Rho)x 0.1151894E-11 GRAD(Rho)y -0.2685300E-12 GRAD(Rho)z 0.1854801E-11 Laplacian 0.5702989E+00 (-1/4)Del**2(Rho)) -0.1425747E+00 Diamond 0.1028305E+01 Metallicity 0.4200036E+01 Ellipticity 0.1423086E-01 Gb(Abramov) 0.1948530E+00 Vb(Abramov) -0.2471312E+00 Hb(Abramov) -0.5227826E-01 Ex_ueg -0.5026268E-01 Ec_ueg -0.7379636E-02 Delta_ex -0.5980276E-01 Delta_ec 0.1543383E-01 Delta_et -0.2029040E+00 Pxc 0.6810997E+01 Qxc -0.3874783E+01 3,-1 43 3 +1 -0.508176 -1.276179 0.683176 Rho 0.1004809E-01 |GRAD(Rho)| 0.2941781E-17 GRAD(Rho)x -0.3956756E-19 GRAD(Rho)y 0.2784263E-17 GRAD(Rho)z -0.9488887E-18 Laplacian 0.4142918E-01 (-1/4)Del**2(Rho)) -0.1035729E-01 Diamond 0.1199420E-02 Metallicity 0.7782388E+00 Ellipticity -0.1312179E+01 Gb(Abramov) 0.8248271E-02 Vb(Abramov) -0.6139248E-02 Hb(Abramov) 0.2109023E-02 Ex_ueg -0.1601388E-02 Ec_ueg -0.3702290E-03 Delta_ex -0.1906427E-02 Delta_ec 0.4708315E-03 Delta_et -0.3435055E-02 Pxc 0.4325399E+01 Qxc -0.4049065E+01 3,+1 44 3 -1 -0.820384 1.227277 0.828023 Rho 0.1988730E+00 |GRAD(Rho)| 0.3495199E-15 GRAD(Rho)x 0.2532696E-15 GRAD(Rho)y -0.1804112E-15 GRAD(Rho)z -0.1595946E-15 Laplacian 0.5438324E+00 (-1/4)Del**2(Rho)) -0.1359581E+00 Diamond 0.1508444E+01 Metallicity 0.8585675E+01 Ellipticity 0.9224848E-03 Gb(Abramov) 0.2851874E+00 Vb(Abramov) -0.4344167E+00 Hb(Abramov) -0.1492293E+00 Ex_ueg -0.8573394E-01 Ec_ueg -0.1164263E-01 Delta_ex -0.6241553E-01 Delta_ec 0.1235936E-01 Delta_et -0.1682603E+00 Pxc 0.7363794E+01 Qxc -0.5050060E+01 3,-1 45 3 -1 -0.816397 2.031323 -2.257445 Rho 0.9426560E-01 |GRAD(Rho)| 0.9908838E-15 GRAD(Rho)x -0.7919555E-15 GRAD(Rho)y -0.4293373E-15 GRAD(Rho)z 0.4127066E-15 Laplacian 0.4277936E+00 (-1/4)Del**2(Rho)) -0.1069484E+00 Diamond 0.5221092E+00 Metallicity 0.3145099E+01 Ellipticity 0.1187108E-01 Gb(Abramov) 0.1273595E+00 Vb(Abramov) -0.1477706E+00 Hb(Abramov) -0.2041108E-01 Ex_ueg -0.3168517E-01 Ec_ueg -0.4979012E-02 Delta_ex -0.4161583E-01 Delta_ec 0.1296472E-01 Delta_et -0.1601092E+00 Pxc 0.6363747E+01 Qxc -0.3209928E+01 3,-1 46 3 -1 0.228931 -1.346829 2.068813 Rho 0.4656434E-01 |GRAD(Rho)| 0.3143105E-15 GRAD(Rho)x -0.5577733E-16 GRAD(Rho)y -0.2673643E-15 GRAD(Rho)z 0.1555517E-15 Laplacian 0.2024508E+00 (-1/4)Del**2(Rho)) -0.5061269E-01 Diamond 0.9982061E-01 Metallicity 0.2051396E+01 Ellipticity 0.1476712E-01 Gb(Abramov) 0.5104624E-01 Vb(Abramov) -0.5147979E-01 Hb(Abramov) -0.4335493E-03 Ex_ueg -0.1237247E-01 Ec_ueg -0.2225862E-02 Delta_ex -0.1668455E-01 Delta_ec 0.6598876E-02 Delta_et -0.6842260E-01 Pxc 0.5558506E+01 Qxc -0.2528393E+01 3,-1 47 3 -1 -0.779311 -2.047142 3.134509 Rho 0.1983545E+00 |GRAD(Rho)| 0.2249837E-10 GRAD(Rho)x -0.1768749E-10 GRAD(Rho)y 0.8401874E-11 GRAD(Rho)z 0.1107872E-10 Laplacian 0.7323690E+00 (-1/4)Del**2(Rho)) -0.1830923E+00 Diamond 0.2077059E+01 Metallicity 0.6347752E+01 Ellipticity 0.6821791E-02 Gb(Abramov) 0.3157655E+00 Vb(Abramov) -0.4484388E+00 Hb(Abramov) -0.1326733E+00 Ex_ueg -0.8543604E-01 Ec_ueg -0.1160797E-01 Delta_ex -0.8435466E-01 Delta_ec 0.1729372E-01 Delta_et -0.2376442E+00 Pxc 0.7360117E+01 Qxc -0.4877764E+01 3,-1 48 3 -1 -0.261069 -2.641358 1.665793 Rho 0.1292622E+00 |GRAD(Rho)| 0.2740133E-15 GRAD(Rho)x -0.1565995E-16 GRAD(Rho)y 0.3856372E-16 GRAD(Rho)z 0.2708337E-15 Laplacian 0.5496055E+00 (-1/4)Del**2(Rho)) -0.1374014E+00 Diamond 0.9504524E+00 Metallicity 0.4143315E+01 Ellipticity 0.3685033E-01 Gb(Abramov) 0.1864838E+00 Vb(Abramov) -0.2355662E+00 Hb(Abramov) -0.4908240E-01 Ex_ueg -0.4827034E-01 Ec_ueg -0.7129528E-02 Delta_ex -0.5715401E-01 Delta_ec 0.1487054E-01 Delta_et -0.1943073E+00 Pxc 0.6770482E+01 Qxc -0.3843438E+01 3,-1 49 3 -1 0.017001 0.135862 0.988360 Rho 0.1688117E+00 |GRAD(Rho)| 0.9929061E-15 GRAD(Rho)x -0.4354156E-15 GRAD(Rho)y 0.5342948E-15 GRAD(Rho)z 0.7147061E-15 Laplacian 0.4141596E+00 (-1/4)Del**2(Rho)) -0.1035399E+00 Diamond 0.9929660E+00 Metallicity 0.8579260E+01 Ellipticity 0.2272689E-01 Gb(Abramov) 0.2170759E+00 Vb(Abramov) -0.3306119E+00 Hb(Abramov) -0.1135360E+00 Ex_ueg -0.6890571E-01 Ec_ueg -0.9658419E-02 Delta_ex -0.4601670E-01 Delta_ec 0.1058953E-01 Delta_et -0.1441923E+00 Pxc 0.7134264E+01 Qxc -0.4345492E+01 3,-1 50 3 -1 0.066160 0.832068 -0.159894 Rho 0.1633522E+00 |GRAD(Rho)| 0.1677960E-13 GRAD(Rho)x -0.9374446E-14 GRAD(Rho)y -0.5497339E-14 GRAD(Rho)z 0.1278491E-13 Laplacian 0.3931662E+00 (-1/4)Del**2(Rho)) -0.9829155E-01 Diamond 0.9031884E+00 Metallicity 0.8555494E+01 Ellipticity 0.2054327E-01 Gb(Abramov) 0.2056832E+00 Vb(Abramov) -0.3130748E+00 Hb(Abramov) -0.1073916E+00 Ex_ueg -0.6595052E-01 Ec_ueg -0.9303653E-02 Delta_ex -0.4330421E-01 Delta_ec 0.1008941E-01 Delta_et -0.1366745E+00 Pxc 0.7088670E+01 Qxc -0.4292045E+01 3,-1 51 3 -1 0.877045 -1.984805 2.995548 Rho 0.1331613E+00 |GRAD(Rho)| 0.3393659E-13 GRAD(Rho)x 0.9441070E-14 GRAD(Rho)y 0.3198455E-13 GRAD(Rho)z -0.6288650E-14 Laplacian 0.5266853E+00 (-1/4)Del**2(Rho)) -0.1316713E+00 Diamond 0.9400019E+00 Metallicity 0.4543165E+01 Ellipticity 0.5635337E-01 Gb(Abramov) 0.1874816E+00 Vb(Abramov) -0.2432919E+00 Hb(Abramov) -0.5581030E-01 Ex_ueg -0.5022141E-01 Ec_ueg -0.7374470E-02 Delta_ex -0.5511656E-01 Delta_ec 0.1406881E-01 Delta_et -0.1845911E+00 Pxc 0.6810172E+01 Qxc -0.3917641E+01 3,-1 52 3 -1 -0.182837 3.417063 -2.386846 Rho 0.1990378E+00 |GRAD(Rho)| 0.4587482E-12 GRAD(Rho)x 0.1583098E-12 GRAD(Rho)y -0.4302969E-12 GRAD(Rho)z -0.1524915E-13 Laplacian 0.7396852E+00 (-1/4)Del**2(Rho)) -0.1849213E+00 Diamond 0.2102174E+01 Metallicity 0.6321096E+01 Ellipticity 0.1495744E-01 Gb(Abramov) 0.3180984E+00 Vb(Abramov) -0.4512755E+00 Hb(Abramov) -0.1331771E+00 Ex_ueg -0.8582872E-01 Ec_ueg -0.1165365E-01 Delta_ex -0.8524250E-01 Delta_ec 0.1739740E-01 Delta_et -0.2389585E+00 Pxc 0.7364962E+01 Qxc -0.4899727E+01 3,-1 53 3 +1 1.619882 1.849951 -1.067149 Rho 0.2846268E-01 |GRAD(Rho)| 0.1237170E-16 GRAD(Rho)x 0.1053537E-16 GRAD(Rho)y 0.1336397E-18 GRAD(Rho)z -0.6484368E-17 Laplacian 0.1100641E+00 (-1/4)Del**2(Rho)) -0.2751603E-01 Diamond 0.1311481E-01 Metallicity 0.1661219E+01 Ellipticity -0.1972135E+01 Gb(Abramov) 0.2596238E-01 Vb(Abramov) -0.2440873E-01 Hb(Abramov) 0.1553651E-02 Ex_ueg -0.6418290E-02 Ec_ueg -0.1264586E-02 Delta_ex -0.6713516E-02 Delta_ec 0.1199560E-02 Delta_et -0.1101553E-01 Pxc 0.5075407E+01 Qxc -0.5596648E+01 3,+1 54 3 -1 1.153717 2.694121 -2.117450 Rho 0.1268234E+00 |GRAD(Rho)| 0.1393248E-15 GRAD(Rho)x -0.1268245E-15 GRAD(Rho)y -0.4213481E-16 GRAD(Rho)z 0.3939042E-16 Laplacian 0.5070188E+00 (-1/4)Del**2(Rho)) -0.1267547E+00 Diamond 0.8638782E+00 Metallicity 0.4350991E+01 Ellipticity 0.3811179E-01 Gb(Abramov) 0.1764212E+00 Vb(Abramov) -0.2260878E+00 Hb(Abramov) -0.4966653E-01 Ex_ueg -0.4705990E-01 Ec_ueg -0.6976836E-02 Delta_ex -0.5257197E-01 Delta_ec 0.1393361E-01 Delta_et -0.1817433E+00 Pxc 0.6745164E+01 Qxc -0.3773034E+01 3,-1 55 3 +1 0.804237 -1.217104 2.392138 Rho 0.3172395E-01 |GRAD(Rho)| 0.1197897E-15 GRAD(Rho)x 0.5054828E-16 GRAD(Rho)y -0.7015464E-16 GRAD(Rho)z 0.8290221E-16 Laplacian 0.1281487E+00 (-1/4)Del**2(Rho)) -0.3203717E-01 Diamond 0.1926475E-01 Metallicity 0.1709534E+01 Ellipticity -0.2312718E+01 Gb(Abramov) 0.3048622E-01 Vb(Abramov) -0.2893526E-01 Hb(Abramov) 0.1550951E-02 Ex_ueg -0.7417109E-02 Ec_ueg -0.1432869E-02 Delta_ex -0.8181029E-02 Delta_ec 0.1609098E-02 Delta_et -0.1506011E-01 Pxc 0.5176406E+01 Qxc -0.5084233E+01 3,+1 56 3 -1 1.947570 -0.754387 3.047943 Rho 0.1164795E+00 |GRAD(Rho)| 0.1317190E-15 GRAD(Rho)x -0.1209563E-16 GRAD(Rho)y 0.8832182E-16 GRAD(Rho)z -0.9696833E-16 Laplacian 0.4684492E+00 (-1/4)Del**2(Rho)) -0.1171123E+00 Diamond 0.7176925E+00 Metallicity 0.4086641E+01 Ellipticity 0.3664016E-01 Gb(Abramov) 0.1578409E+00 Vb(Abramov) -0.1985694E+00 Hb(Abramov) -0.4072856E-01 Ex_ueg -0.4201307E-01 Ec_ueg -0.6333708E-02 Delta_ex -0.4756421E-01 Delta_ec 0.1305725E-01 Delta_et -0.1676202E+00 Pxc 0.6633250E+01 Qxc -0.3642742E+01 3,-1 57 3 -1 1.356001 -0.056355 2.127371 Rho 0.6565965E-01 |GRAD(Rho)| 0.7883053E-16 GRAD(Rho)x -0.4434726E-16 GRAD(Rho)y -0.4189256E-16 GRAD(Rho)z -0.4992582E-16 Laplacian 0.2856024E+00 (-1/4)Del**2(Rho)) -0.7140060E-01 Diamond 0.2153754E+00 Metallicity 0.2578392E+01 Ellipticity 0.9093430E-01 Gb(Abramov) 0.7828352E-01 Vb(Abramov) -0.8516645E-01 Hb(Abramov) -0.6882923E-02 Ex_ueg -0.1956365E-01 Ec_ueg -0.3297206E-02 Delta_ex -0.2536549E-01 Delta_ec 0.8796313E-02 Delta_et -0.9960089E-01 Pxc 0.5933402E+01 Qxc -0.2883650E+01 3,-1 58 3 -1 2.084999 0.745551 3.569561 Rho 0.1991560E+00 |GRAD(Rho)| 0.4528463E-15 GRAD(Rho)x 0.2886688E-16 GRAD(Rho)y -0.6787106E-16 GRAD(Rho)z -0.4467997E-15 Laplacian 0.7313660E+00 (-1/4)Del**2(Rho)) -0.1828415E+00 Diamond 0.2086771E+01 Metallicity 0.6399323E+01 Ellipticity 0.7907518E-02 Gb(Abramov) 0.3169046E+00 Vb(Abramov) -0.4509678E+00 Hb(Abramov) -0.1340631E+00 Ex_ueg -0.8589665E-01 Ec_ueg -0.1166155E-01 Delta_ex -0.8434267E-01 Delta_ec 0.1728130E-01 Delta_et -0.2376581E+00 Pxc 0.7365798E+01 Qxc -0.4880574E+01 3,-1 59 3 -1 1.750623 1.436478 -0.635777 Rho 0.3794803E-01 |GRAD(Rho)| 0.2881988E-15 GRAD(Rho)x 0.2872149E-15 GRAD(Rho)y 0.7969309E-17 GRAD(Rho)z -0.2241964E-16 Laplacian 0.1590032E+00 (-1/4)Del**2(Rho)) -0.3975079E-01 Diamond 0.5902459E-01 Metallicity 0.1857189E+01 Ellipticity 0.6323627E-01 Gb(Abramov) 0.3880465E-01 Vb(Abramov) -0.3785851E-01 Hb(Abramov) 0.9461415E-03 Ex_ueg -0.9418261E-02 Ec_ueg -0.1760409E-02 Delta_ex -0.1244417E-01 Delta_ec 0.5149716E-02 Delta_et -0.5048786E-01 Pxc 0.5350041E+01 Qxc -0.2416477E+01 3,-1 60 3 -1 3.243174 0.012844 2.799780 Rho 0.1958917E+00 |GRAD(Rho)| 0.6675527E-14 GRAD(Rho)x 0.6400371E-14 GRAD(Rho)y 0.1292816E-14 GRAD(Rho)z 0.1388001E-14 Laplacian 0.7348231E+00 (-1/4)Del**2(Rho)) -0.1837058E+00 Diamond 0.2052394E+01 Metallicity 0.6196177E+01 Ellipticity 0.1196885E-01 Gb(Abramov) 0.3121828E+00 Vb(Abramov) -0.4406598E+00 Hb(Abramov) -0.1284770E+00 Ex_ueg -0.8402461E-01 Ec_ueg -0.1144356E-01 Delta_ex -0.8436459E-01 Delta_ec 0.1740350E-01 Delta_et -0.2388709E+00 Pxc 0.7342523E+01 Qxc -0.4847564E+01 3,-1 61 3 -1 2.459742 2.382243 -1.216521 Rho 0.1277607E+00 |GRAD(Rho)| 0.7991528E-15 GRAD(Rho)x -0.4747315E-15 GRAD(Rho)y -0.6422543E-15 GRAD(Rho)z 0.2801307E-16 Laplacian 0.5150464E+00 (-1/4)Del**2(Rho)) -0.1287616E+00 Diamond 0.8716058E+00 Metallicity 0.4336065E+01 Ellipticity 0.5694172E-01 Gb(Abramov) 0.1788942E+00 Vb(Abramov) -0.2290268E+00 Hb(Abramov) -0.5013258E-01 Ex_ueg -0.4752421E-01 Ec_ueg -0.7035474E-02 Delta_ex -0.5332847E-01 Delta_ec 0.1382702E-01 Delta_et -0.1800549E+00 Pxc 0.6754941E+01 Qxc -0.3856831E+01 3,-1 62 3 -1 2.315428 0.962638 2.019029 Rho 0.1196312E+00 |GRAD(Rho)| 0.2419947E-12 GRAD(Rho)x -0.1239504E-13 GRAD(Rho)y 0.9994144E-13 GRAD(Rho)z -0.2200443E-12 Laplacian 0.5043613E+00 (-1/4)Del**2(Rho)) -0.1260903E+00 Diamond 0.7986751E+00 Metallicity 0.3968369E+01 Ellipticity 0.9950218E-02 Gb(Abramov) 0.1674557E+00 Vb(Abramov) -0.2088211E+00 Hb(Abramov) -0.4136539E-01 Ex_ueg -0.4353557E-01 Ec_ueg -0.6528877E-02 Delta_ex -0.5154447E-01 Delta_ec 0.1399054E-01 Delta_et -0.1805080E+00 Pxc 0.6668157E+01 Qxc -0.3684237E+01 3,-1 63 3 -1 3.742654 2.400856 -0.355737 Rho 0.1930367E+00 |GRAD(Rho)| 0.4269745E-12 GRAD(Rho)x -0.3444162E-12 GRAD(Rho)y -0.2468989E-12 GRAD(Rho)z -0.5220753E-13 Laplacian 0.7336592E+00 (-1/4)Del**2(Rho)) -0.1834148E+00 Diamond 0.2005361E+01 Metallicity 0.6055993E+01 Ellipticity 0.1220030E-01 Gb(Abramov) 0.3074030E+00 Vb(Abramov) -0.4313912E+00 Hb(Abramov) -0.1239882E+00 Ex_ueg -0.8239579E-01 Ec_ueg -0.1125339E-01 Delta_ex -0.8386067E-01 Delta_ec 0.1734398E-01 Delta_et -0.2374108E+00 Pxc 0.7321864E+01 Qxc -0.4835145E+01 3,-1 64 3 -1 3.305867 0.994980 -0.839891 Rho 0.1988909E+00 |GRAD(Rho)| 0.2680527E-15 GRAD(Rho)x -0.6952446E-16 GRAD(Rho)y 0.2019869E-15 GRAD(Rho)z 0.1619256E-15 Laplacian 0.7341289E+00 (-1/4)Del**2(Rho)) -0.1835322E+00 Diamond 0.2088608E+01 Metallicity 0.6361103E+01 Ellipticity 0.8226631E-02 Gb(Abramov) 0.3169327E+00 Vb(Abramov) -0.4503332E+00 Hb(Abramov) -0.1334005E+00 Ex_ueg -0.8574425E-01 Ec_ueg -0.1164383E-01 Delta_ex -0.8461413E-01 Delta_ec 0.1731995E-01 Delta_et -0.2380505E+00 Pxc 0.7363921E+01 Qxc -0.4885356E+01 3,-1 65 3 +1 -2.151968 -0.756306 -1.345738 Rho 0.3091021E-01 |GRAD(Rho)| 0.9440493E-16 GRAD(Rho)x -0.4224771E-16 GRAD(Rho)y -0.3906719E-16 GRAD(Rho)z -0.7484100E-16 Laplacian 0.1203881E+00 (-1/4)Del**2(Rho)) -0.3009702E-01 Diamond 0.2062131E-01 Metallicity 0.1742608E+01 Ellipticity -0.5612652E+01 Gb(Abramov) 0.2880590E-01 Vb(Abramov) -0.2751477E-01 Hb(Abramov) 0.1291121E-02 Ex_ueg -0.7164531E-02 Ec_ueg -0.1390652E-02 Delta_ex -0.7888587E-02 Delta_ec 0.1974040E-02 Delta_et -0.1834038E-01 Pxc 0.5151922E+01 Qxc -0.3996164E+01 3,+1 66 3 -1 0.103664 -3.315893 3.009648 Rho 0.1911660E+00 |GRAD(Rho)| 0.1727592E-15 GRAD(Rho)x 0.2103352E-16 GRAD(Rho)y 0.1487525E-15 GRAD(Rho)z 0.8529961E-16 Laplacian 0.7334072E+00 (-1/4)Del**2(Rho)) -0.1833518E+00 Diamond 0.1978179E+01 Metallicity 0.5960543E+01 Ellipticity 0.1271664E-01 Gb(Abramov) 0.3043806E+00 Vb(Abramov) -0.4254094E+00 Hb(Abramov) -0.1210288E+00 Ex_ueg -0.8133286E-01 Ec_ueg -0.1112903E-01 Delta_ex -0.8360186E-01 Delta_ec 0.1734278E-01 Delta_et -0.2370534E+00 Pxc 0.7308170E+01 Qxc -0.4820558E+01 3,-1 67 3 -1 0.292687 2.248937 -3.340532 Rho 0.2016030E+00 |GRAD(Rho)| 0.5523809E-15 GRAD(Rho)x -0.1453509E-15 GRAD(Rho)y 0.8250779E-16 GRAD(Rho)z 0.5264886E-15 Laplacian 0.7415892E+00 (-1/4)Del**2(Rho)) -0.1853973E+00 Diamond 0.2142914E+01 Metallicity 0.6440874E+01 Ellipticity 0.1329667E-01 Gb(Abramov) 0.3226183E+00 Vb(Abramov) -0.4598393E+00 Hb(Abramov) -0.1372210E+00 Ex_ueg -0.8730673E-01 Ec_ueg -0.1182536E-01 Delta_ex -0.8575943E-01 Delta_ec 0.1741289E-01 Delta_et -0.2395328E+00 Pxc 0.7383008E+01 Qxc -0.4925054E+01 3,-1 68 3 -1 0.375179 1.758025 -1.575956 Rho 0.7698475E-01 |GRAD(Rho)| 0.2232130E-14 GRAD(Rho)x 0.2112750E-14 GRAD(Rho)y 0.1322727E-16 GRAD(Rho)z -0.7200796E-15 Laplacian 0.3257465E+00 (-1/4)Del**2(Rho)) -0.8143662E-01 Diamond 0.2975866E+00 Metallicity 0.2947188E+01 Ellipticity 0.1090348E+00 Gb(Abramov) 0.9429259E-01 Vb(Abramov) -0.1071486E+00 Hb(Abramov) -0.1285597E-01 Ex_ueg -0.2418752E-01 Ec_ueg -0.3953453E-02 Delta_ex -0.2995736E-01 Delta_ec 0.9701953E-02 Delta_et -0.1140473E+00 Pxc 0.6118074E+01 Qxc -0.3087766E+01 3,-1 69 3 -1 2.630239 1.717202 0.500812 Rho 0.1369359E+00 |GRAD(Rho)| 0.2663629E-15 GRAD(Rho)x -0.1241411E-15 GRAD(Rho)y -0.8389014E-16 GRAD(Rho)z 0.2202286E-15 Laplacian 0.5675172E+00 (-1/4)Del**2(Rho)) -0.1418793E+00 Diamond 0.1042624E+01 Metallicity 0.4417363E+01 Ellipticity 0.1258307E-01 Gb(Abramov) 0.1990416E+00 Vb(Abramov) -0.2562039E+00 Hb(Abramov) -0.5716230E-01 Ex_ueg -0.5212846E-01 Ec_ueg -0.7612545E-02 Delta_ex -0.5973676E-01 Delta_ec 0.1496135E-01 Delta_et -0.1969968E+00 Pxc 0.6847705E+01 Qxc -0.3992738E+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 51 46 47 48 66 56 67 68 54 52 45 32 64 59 69 61 63 35 41 39 36 42 34 30 31 38 57 62 58 60 49 40 50 44 1 1 1 1 1 2 3 3 3 3 3 5 6 6 6 6 6 8 8 8 8 8 9 9 9 9 11 11 11 11 13 14 15 16 2 13 24 26 28 11 4 15 21 22 23 9 7 15 20 21 27 10 12 14 18 26 10 14 19 23 13 20 25 29 17 17 17 17 1.968679 2.377809 1.817301 1.966840 1.830110 2.020892 1.811482 2.179616 1.987076 1.816415 2.079343 1.771603 1.816274 2.473444 1.948799 1.981927 1.826606 2.136343 1.814384 2.173275 1.814678 1.954556 1.857991 2.486459 1.771337 1.849826 2.236438 2.000308 1.815724 1.822035 1.740504 1.762704 1.755218 1.667943 1.968944 2.380045 1.817355 1.966978 1.830114 2.021281 1.811522 2.181639 1.987473 1.816439 2.079472 1.771621 1.816322 2.475050 1.948987 1.982165 1.826612 2.136910 1.814420 2.175219 1.814717 1.954810 1.858208 2.487642 1.771360 1.849973 2.238588 2.000529 1.815782 1.822046 1.740542 1.762807 1.755294 1.667945 25 27 23 25 24 25 22 25 25 23 25 24 22 29 25 25 23 27 22 25 23 25 23 29 25 23 27 25 24 25 24 23 24 20 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 Ta O Ta O O Ta O Ta W O Ta O O O O O As O O O O O O O O O O O O 2.0232 -1.0831 2.0124 -0.9977 -0.8938 2.0287 -1.0293 2.0154 2.3027 -1.0220 1.9924 -1.0004 -1.0397 -1.0427 -1.0265 -0.9532 1.9810 -1.0044 -0.9037 -1.0835 -1.0797 -1.0022 -1.0213 -1.0317 -1.0149 -1.0627 -1.0260 -1.0239 -1.0133 2.1421 1.9218 2.1500 1.9344 1.9490 2.1425 1.9347 2.1480 2.1218 1.9362 2.1587 1.9344 1.9257 1.9226 1.9264 1.9456 0.9269 1.9334 1.9526 1.9212 1.9228 1.9339 1.9264 1.9337 1.9329 1.9172 1.9312 1.9311 1.9322 6.1288 5.1352 6.1408 5.0384 4.9142 6.1300 5.0704 6.1409 6.1412 5.0547 6.1378 5.0416 5.0826 5.0906 5.0692 4.9787 1.5519 5.0466 4.9205 5.1369 5.1300 5.0440 5.0663 5.0740 5.0577 5.1214 5.0717 5.0701 5.0578 2.6746 0.0261 2.6658 0.0249 0.0306 2.6680 0.0241 2.6648 3.4069 0.0311 2.6801 0.0245 0.0314 0.0295 0.0309 0.0289 10.5402 0.0244 0.0306 0.0254 0.0268 0.0242 0.0286 0.0240 0.0243 0.0241 0.0231 0.0227 0.0234 14.0313 0.0000 14.0310 0.0000 0.0000 14.0308 0.0000 14.0310 14.0274 0.0000 14.0310 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 Ta O Ta O O Ta O Ta W O Ta O O O O O As O O O O O O O O O O O O 2.241350 -1.110953 2.258058 -1.085279 -0.958599 2.230735 -1.106214 2.259078 2.390040 -1.030867 2.247503 -1.089983 -1.107726 -1.105961 -1.102737 -1.100782 2.279685 -1.092566 -0.956002 -1.108022 -1.104623 -1.094211 -1.044302 -1.111929 -1.105293 -1.100431 -1.132111 -1.137503 -1.120354 1.813057 -0.934800 1.830860 -1.006684 -0.868949 1.821032 -1.026450 1.829418 1.904191 -0.852547 1.831310 -1.034108 -0.780572 -0.820772 -0.808468 -0.989255 1.777223 -1.016754 -0.861836 -0.892369 -0.923460 -1.036350 -0.785968 -1.039777 -1.045032 -0.850924 -1.083846 -1.094304 -1.053864 1.963920 -1.009077 1.976219 -1.026495 -0.875705 1.936991 -1.024461 1.966974 2.003282 -0.886939 1.964801 -1.032590 -0.875695 -0.925407 -0.909429 -0.957341 1.825014 -1.036588 -0.859092 -0.973259 -0.994140 -1.042820 -0.880188 -1.058554 -1.052754 -0.955808 -1.092634 -1.102636 -1.065588 -12.18327171 1.32613464 -6.00358147 13.64674808 -1.17537921 -85.00873100 -87.97978363 15.62994096 97.29715814 -14.45456176 -182.3522 240.4874 11.7993 -254.5647 -84.1012 -268.7312 Jun20-2024 01:51:24 Nodes: 1 Procs: 1 Jun20-2024 01:51:26 Nodes: 1 Procs: 1 0 Jun20-2024 01:51:30 Nodes: 1 Procs: 1 Jun20-2024 01:51:33 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 01:51:38 Nodes: 1 Procs: 1 Jun20-2024 01:51:40 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 01:51:45 Nodes: 1 Procs: 1 Jun20-2024 01:51:46 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 01:51:51 Nodes: 1 Procs: 5 *** (NO TITLE) *** -8 -9.67580080 -9.85463683 -9.86002804 -9.86441404 -9.86590325 -9.86780896 -9.86836101 -9.86941515 -9.87006498 -9.87056849 -9.87090355 -9.87116832 -9.87137224 -9.87143907 -9.87139302 -9.87133707 -9.87150550 -9.87153559 -9.87222737 -9.87225606 -9.87248280 -9.87336269 -9.87332872 -9.87326424 -9.87372392 -9.87369695 -9.87399386 -9.87449104 -9.87469750 -9.87494538 -9.87502282 -9.87488050 -9.87499877 -9.87509206 -9.87512321 -9.87525009 -9.87533111 -9.87541264 -9.87543654 -9.87548196 -9.87552196 -9.87559489 -9.87567518 -9.87574446 -9.87573532 -9.87570508 -9.87568753 -9.87570824 -9.87536562 -9.87553351 -9.87560604 -9.87563411 -9.87566413 -9.87568443 -9.87569630 -9.87568110 -9.87560736 -9.87566419 -9.87563284 -9.87560959 -9.87561512 -9.87562148 -9.87563595 -9.87564421 -9.87565517 -9.87568189 -9.87583194 -9.87568448 -9.87569158 GEOMETRY CONVERGED