ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr22-2024 04:52:52 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.59 0.04 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 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 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 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Apr22-2024 04:52:52 Nodes: 1 Procs: 1 Apr22-2024 04:52:52 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr22-2024 04:52:53 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.31 0.06 1.41 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2741 82466.5953 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Apr22-2024 04:52:52 Nodes: 1 Procs: 1 Apr22-2024 04:52:52 Nodes: 1 Procs: 1 0 Apr22-2024 04:52:53 Nodes: 1 Procs: 1 Apr22-2024 04:52:54 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr22-2024 04:52:56 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.32 0.05 1.42 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Apr22-2024 04:52:52 Nodes: 1 Procs: 1 Apr22-2024 04:52:52 Nodes: 1 Procs: 1 0 Apr22-2024 04:52:53 Nodes: 1 Procs: 1 Apr22-2024 04:52:54 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Apr22-2024 04:52:56 Nodes: 1 Procs: 1 Apr22-2024 04:52:57 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr22-2024 04:52:58 Phosphorus (TZP, 1s frozen) kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 0.02 0.51 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Apr22-2024 04:52:52 Nodes: 1 Procs: 1 Apr22-2024 04:52:52 Nodes: 1 Procs: 1 0 Apr22-2024 04:52:53 Nodes: 1 Procs: 1 Apr22-2024 04:52:54 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Apr22-2024 04:52:56 Nodes: 1 Procs: 1 Apr22-2024 04:52:57 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr22-2024 04:52:58 Nodes: 1 Procs: 1 Apr22-2024 04:52:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr22-2024 04:52:59 Phosphorus (TZP, 1s frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 1245.4860609999992 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Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.O ADF 2019 Apr22-2024 04:52:58 1 1 Oxygen TZP 1s t21.Ta ADF 2019 Apr22-2024 04:52:54 1 1 Tantalum TZP 4d t21.W ADF 2019 Apr22-2024 04:52:57 1 1 Tungsten TZP 4d t21.P ADF 2019 Apr22-2024 04:52:52 1 1 Phosphorus TZP 1s 1 1 -7.67356174 0.44648376 0.00100000 F 0.14579894 0.00066667 F 0.44648376 0.14579894 0.13452743 0.01000000 F 0.05435992 0.00666667 F Cartesian 1245.4860609999992 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0.875300 Rho 0.3190670E+03 3,-3 14 3 -3 -3.038106 -1.823850 -1.925418 Rho 0.3190636E+03 3,-3 15 3 -3 2.740244 -2.058117 -0.828878 Rho 0.3189117E+03 3,-3 16 3 -3 0.644721 1.795073 -2.547214 Rho 0.3190779E+03 3,-3 17 3 -3 0.016670 -0.319192 2.797976 Rho 0.3188998E+03 3,-3 18 3 -3 4.970673 -0.368054 -0.908709 Rho 0.3191819E+03 3,-3 19 3 -3 0.685231 1.571004 1.168383 Rho 0.3187729E+03 3,-3 20 3 -3 0.790356 -2.788318 -0.426006 Rho 0.3882648E+07 3,-3 21 3 -3 0.916000 2.300205 -0.831023 Rho 0.3882647E+07 3,-3 22 3 -3 -2.638779 -1.352708 -0.220264 Rho 0.3882648E+07 3,-3 23 3 -3 -2.706594 2.131743 0.146732 Rho 0.4361417E+07 3,-3 24 3 -3 3.372134 -0.437486 -0.154716 Rho 0.4361417E+07 3,-3 25 3 -3 0.096163 0.122364 1.354610 Rho 0.2439584E+04 3,-3 26 3 -1 -3.128821 1.285572 -0.170743 Rho 0.1750128E+00 |GRAD(Rho)| 0.1154387E-14 GRAD(Rho)x -0.2874084E-15 GRAD(Rho)y 0.1538212E-15 GRAD(Rho)z -0.1107404E-14 Laplacian 0.6557534E+00 (-1/4)Del**2(Rho)) -0.1639384E+00 Diamond 0.1602752E+01 Metallicity 0.5754253E+01 Ellipticity 0.5066183E-01 Gb(Abramov) 0.2665160E+00 Vb(Abramov) -0.3690937E+00 Hb(Abramov) -0.1025777E+00 Ex_ueg -0.7230109E-01 Ec_ueg -0.1006348E-01 Delta_ex -0.7319895E-01 Delta_ec 0.1604800E-01 Delta_et -0.2179408E+00 Pxc 0.7184498E+01 Qxc -0.4561250E+01 3,-1 27 3 -1 -2.389461 0.373987 0.095978 Rho 0.3176069E-01 |GRAD(Rho)| 0.1477289E-15 GRAD(Rho)x 0.1261873E-15 GRAD(Rho)y -0.5283221E-17 GRAD(Rho)z 0.7663331E-16 Laplacian 0.1392322E+00 (-1/4)Del**2(Rho)) -0.3480805E-01 Diamond 0.2959222E-01 Metallicity 0.1576486E+01 Ellipticity 0.1005804E+02 Gb(Abramov) 0.3235110E-01 Vb(Abramov) -0.2989415E-01 Hb(Abramov) 0.2456949E-02 Ex_ueg -0.7428566E-02 Ec_ueg -0.1434778E-02 Delta_ex -0.9572491E-02 Delta_ec 0.2964117E-02 Delta_et -0.2768492E-01 Pxc 0.5177501E+01 Qxc -0.3229458E+01 3,-1 28 3 +1 -2.358662 0.592364 0.136359 Rho 0.3164810E-01 |GRAD(Rho)| 0.1198767E-15 GRAD(Rho)x -0.8094805E-16 GRAD(Rho)y 0.8131608E-16 GRAD(Rho)z -0.3472068E-16 Laplacian 0.1309369E+00 (-1/4)Del**2(Rho)) -0.3273422E-01 Diamond 0.2419213E-01 Metallicity 0.1666469E+01 Ellipticity -0.6393425E+01 Gb(Abramov) 0.3091457E-01 Vb(Abramov) -0.2909492E-01 Hb(Abramov) 0.1819649E-02 Ex_ueg -0.7393473E-02 Ec_ueg -0.1428927E-02 Delta_ex -0.8716109E-02 Delta_ec 0.2291696E-02 Delta_et -0.2140179E-01 Pxc 0.5174143E+01 Qxc -0.3803344E+01 3,+1 29 3 -1 -1.977369 1.125988 0.395678 Rho 0.4103064E-01 |GRAD(Rho)| 0.5149555E-15 GRAD(Rho)x -0.2947869E-15 GRAD(Rho)y -0.3508533E-15 GRAD(Rho)z 0.2349081E-15 Laplacian 0.1622019E+00 (-1/4)Del**2(Rho)) -0.4055046E-01 Diamond 0.6118079E-01 Metallicity 0.2073661E+01 Ellipticity 0.7323543E-01 Gb(Abramov) 0.4104830E-01 Vb(Abramov) -0.4154613E-01 Hb(Abramov) -0.4978331E-03 Ex_ueg -0.1045192E-01 Ec_ueg -0.1925436E-02 Delta_ex -0.1261409E-01 Delta_ec 0.4673096E-02 Delta_et -0.4673957E-01 Pxc 0.5428340E+01 Qxc -0.2699301E+01 3,-1 30 3 -1 -0.475051 0.132682 1.055791 Rho 0.1841194E+00 |GRAD(Rho)| 0.1274689E-10 GRAD(Rho)x -0.9710311E-11 GRAD(Rho)y 0.6662647E-11 GRAD(Rho)z 0.4878743E-11 Laplacian 0.5524516E+00 (-1/4)Del**2(Rho)) -0.1381129E+00 Diamond 0.1591291E+01 Metallicity 0.7432785E+01 Ellipticity 0.2444771E-01 Gb(Abramov) 0.2631692E+00 Vb(Abramov) -0.3882255E+00 Hb(Abramov) -0.1250563E+00 Ex_ueg -0.7736025E-01 Ec_ueg -0.1066237E-01 Delta_ex -0.6364335E-01 Delta_ec 0.1545485E-01 Delta_et -0.2175105E+00 Pxc 0.7255445E+01 Qxc -0.4118017E+01 3,-1 31 3 +1 -0.645261 1.500920 0.279515 Rho 0.1209788E-01 |GRAD(Rho)| 0.2680978E-14 GRAD(Rho)x 0.1421857E-14 GRAD(Rho)y -0.1621573E-14 GRAD(Rho)z 0.1592629E-14 Laplacian 0.5294802E-01 (-1/4)Del**2(Rho)) -0.1323701E-01 Diamond 0.1886917E-02 Metallicity 0.8297462E+00 Ellipticity -0.1273091E+01 Gb(Abramov) 0.1065523E-01 Vb(Abramov) -0.8073454E-02 Hb(Abramov) 0.2581776E-02 Ex_ueg -0.2051149E-02 Ec_ueg -0.4640892E-03 Delta_ex -0.2534321E-02 Delta_ec 0.5553363E-03 Delta_et -0.4273318E-02 Pxc 0.4419730E+01 Qxc -0.4563578E+01 3,+1 32 3 -1 1.283289 3.197470 -0.833843 Rho 0.2065391E+00 |GRAD(Rho)| 0.3016974E-10 GRAD(Rho)x 0.1137761E-10 GRAD(Rho)y 0.2794213E-10 GRAD(Rho)z 0.1558120E-13 Laplacian 0.7546947E+00 (-1/4)Del**2(Rho)) -0.1886737E+00 Diamond 0.2239505E+01 Metallicity 0.6589397E+01 Ellipticity 0.1432160E-01 Gb(Abramov) 0.3329901E+00 Vb(Abramov) -0.4773065E+00 Hb(Abramov) -0.1443164E+00 Ex_ueg -0.9016849E-01 Ec_ueg -0.1215681E-01 Delta_ex -0.8777999E-01 Delta_ec 0.1753789E-01 Delta_et -0.2414760E+00 Pxc 0.7417119E+01 Qxc -0.5005163E+01 3,-1 33 3 +1 2.009912 -1.246621 -0.127453 Rho 0.3175619E-01 |GRAD(Rho)| 0.2387512E-12 GRAD(Rho)x 0.1446975E-12 GRAD(Rho)y 0.1860954E-12 GRAD(Rho)z 0.3785886E-13 Laplacian 0.1319271E+00 (-1/4)Del**2(Rho)) -0.3298177E-01 Diamond 0.2471166E-01 Metallicity 0.1663386E+01 Ellipticity -0.7046227E+01 Gb(Abramov) 0.3113142E-01 Vb(Abramov) -0.2928106E-01 Hb(Abramov) 0.1850352E-02 Ex_ueg -0.7427161E-02 Ec_ueg -0.1434544E-02 Delta_ex -0.8807614E-02 Delta_ec 0.2340287E-02 Delta_et -0.2187206E-01 Pxc 0.5177367E+01 Qxc -0.3763475E+01 3,+1 34 3 -1 2.160211 -0.611936 0.164270 Rho 0.4138753E-01 |GRAD(Rho)| 0.1811776E-13 GRAD(Rho)x 0.1695208E-13 GRAD(Rho)y -0.8126720E-15 GRAD(Rho)z -0.6341920E-14 Laplacian 0.1637149E+00 (-1/4)Del**2(Rho)) -0.4092872E-01 Diamond 0.6252417E-01 Metallicity 0.2084367E+01 Ellipticity 0.7267951E-01 Gb(Abramov) 0.4150422E-01 Vb(Abramov) -0.4207973E-01 Hb(Abramov) -0.5755071E-03 Ex_ueg -0.1057331E-01 Ec_ueg -0.1944654E-02 Delta_ex -0.1276163E-01 Delta_ec 0.4720450E-02 Delta_et -0.4732276E-01 Pxc 0.5437119E+01 Qxc -0.2703476E+01 3,-1 35 3 +1 1.497256 0.621012 0.162000 Rho 0.1223976E-01 |GRAD(Rho)| 0.1291863E-16 GRAD(Rho)x -0.1096560E-16 GRAD(Rho)y 0.2237315E-17 GRAD(Rho)z 0.6452998E-17 Laplacian 0.5312670E-01 (-1/4)Del**2(Rho)) -0.1328167E-01 Diamond 0.1891856E-02 Metallicity 0.8431826E+00 Ellipticity -0.1268511E+01 Gb(Abramov) 0.1072093E-01 Vb(Abramov) -0.8160183E-02 Hb(Abramov) 0.2560745E-02 Ex_ueg -0.2083285E-02 Ec_ueg -0.4706483E-03 Delta_ex -0.2541917E-02 Delta_ec 0.5410951E-03 Delta_et -0.4189865E-02 Pxc 0.4426416E+01 Qxc -0.4697726E+01 3,+1 36 3 -1 2.979368 0.437853 -0.424439 Rho 0.1714879E+00 |GRAD(Rho)| 0.1797774E-13 GRAD(Rho)x 0.1646112E-13 GRAD(Rho)y -0.4461275E-14 GRAD(Rho)z -0.5685746E-14 Laplacian 0.6868697E+00 (-1/4)Del**2(Rho)) -0.1717174E+00 Diamond 0.1620249E+01 Metallicity 0.5310409E+01 Ellipticity 0.3480448E-01 Gb(Abramov) 0.2664599E+00 Vb(Abramov) -0.3612024E+00 Hb(Abramov) -0.9474249E-01 Ex_ueg -0.7036603E-01 Ec_ueg -0.9832958E-02 Delta_ex -0.7613258E-01 Delta_ec 0.1663022E-01 Delta_et -0.2245797E+00 Pxc 0.7156141E+01 Qxc -0.4577966E+01 3,-1 37 3 -1 -2.853708 -1.604708 -1.137048 Rho 0.2004990E+00 |GRAD(Rho)| 0.1206965E-15 GRAD(Rho)x 0.1038666E-15 GRAD(Rho)y 0.2664427E-16 GRAD(Rho)z 0.5540273E-16 Laplacian 0.7476638E+00 (-1/4)Del**2(Rho)) -0.1869160E+00 Diamond 0.2144298E+01 Metallicity 0.6330341E+01 Ellipticity 0.1656283E-01 Gb(Abramov) 0.3218176E+00 Vb(Abramov) -0.4567192E+00 Hb(Abramov) -0.1349016E+00 Ex_ueg -0.8666984E-01 Ec_ueg -0.1175142E-01 Delta_ex -0.8632757E-01 Delta_ec 0.1755828E-01 Delta_et -0.2413426E+00 Pxc 0.7375268E+01 Qxc -0.4916631E+01 3,-1 38 3 -1 -0.203961 -2.629567 -0.153457 Rho 0.1304433E+00 |GRAD(Rho)| 0.3226016E-15 GRAD(Rho)x 0.3043898E-15 GRAD(Rho)y 0.4087781E-16 GRAD(Rho)z -0.9873016E-16 Laplacian 0.5492632E+00 (-1/4)Del**2(Rho)) -0.1373158E+00 Diamond 0.9637239E+00 Metallicity 0.4209226E+01 Ellipticity 0.1051670E-01 Gb(Abramov) 0.1878761E+00 Vb(Abramov) -0.2384363E+00 Hb(Abramov) -0.5056028E-01 Ex_ueg -0.4885932E-01 Ec_ueg -0.7203620E-02 Delta_ex -0.5728410E-01 Delta_ec 0.1490283E-01 Delta_et -0.1951611E+00 Pxc 0.6782606E+01 Qxc -0.3843841E+01 3,-1 39 3 +1 -0.504525 -1.171084 0.436763 Rho 0.1301431E-01 |GRAD(Rho)| 0.4709166E-15 GRAD(Rho)x -0.9806609E-16 GRAD(Rho)y 0.3860234E-15 GRAD(Rho)z 0.2512596E-15 Laplacian 0.5738165E-01 (-1/4)Del**2(Rho)) -0.1434541E-01 Diamond 0.2482641E-02 Metallicity 0.8647197E+00 Ellipticity -0.1379707E+01 Gb(Abramov) 0.1163107E-01 Vb(Abramov) -0.8916724E-02 Hb(Abramov) 0.2714344E-02 Ex_ueg -0.2260892E-02 Ec_ueg -0.5065932E-03 Delta_ex -0.2859091E-02 Delta_ec 0.7043102E-03 Delta_et -0.5416299E-02 Pxc 0.4462935E+01 Qxc -0.4059420E+01 3,+1 40 3 -1 0.785741 1.896519 0.208425 Rho 0.8593350E-01 |GRAD(Rho)| 0.6507550E-16 GRAD(Rho)x 0.1413698E-16 GRAD(Rho)y -0.1437246E-16 GRAD(Rho)z -0.6187406E-16 Laplacian 0.3600151E+00 (-1/4)Del**2(Rho)) -0.9000377E-01 Diamond 0.3772141E+00 Metallicity 0.3203047E+01 Ellipticity 0.4367201E-01 Gb(Abramov) 0.1080502E+00 Vb(Abramov) -0.1260967E+00 Hb(Abramov) -0.1804646E-01 Ex_ueg -0.2800712E-01 Ec_ueg -0.4481150E-02 Delta_ex -0.3397164E-01 Delta_ec 0.1053654E-01 Delta_et -0.1269852E+00 Pxc 0.6249984E+01 Qxc -0.3224174E+01 3,-1 41 3 -1 0.769398 2.026776 -1.752845 Rho 0.2028746E+00 |GRAD(Rho)| 0.2583521E-12 GRAD(Rho)x 0.3873390E-13 GRAD(Rho)y 0.7903820E-13 GRAD(Rho)z 0.2428960E-12 Laplacian 0.7592416E+00 (-1/4)Del**2(Rho)) -0.1898104E+00 Diamond 0.2202065E+01 Metallicity 0.6357394E+01 Ellipticity 0.2056896E-01 Gb(Abramov) 0.3276568E+00 Vb(Abramov) -0.4655033E+00 Hb(Abramov) -0.1378464E+00 Ex_ueg -0.8804171E-01 Ec_ueg -0.1191061E-01 Delta_ex -0.8788532E-01 Delta_ec 0.1769561E-01 Delta_et -0.2431903E+00 Pxc 0.7391871E+01 Qxc -0.4966504E+01 3,-1 42 3 -1 1.827419 1.712974 -0.734207 Rho 0.9926142E-01 |GRAD(Rho)| 0.2101643E-15 GRAD(Rho)x 0.1782564E-15 GRAD(Rho)y -0.1112866E-15 GRAD(Rho)z -0.3001885E-17 Laplacian 0.4320644E+00 (-1/4)Del**2(Rho)) -0.1080161E+00 Diamond 0.5581244E+00 Metallicity 0.3393898E+01 Ellipticity 0.1894685E-01 Gb(Abramov) 0.1331100E+00 Vb(Abramov) -0.1582039E+00 Hb(Abramov) -0.2509390E-01 Ex_ueg -0.3394369E-01 Ec_ueg -0.5280333E-02 Delta_ex -0.4247444E-01 Delta_ec 0.1285549E-01 Delta_et -0.1604065E+00 Pxc 0.6428323E+01 Qxc -0.3303991E+01 3,-1 43 3 -1 3.022492 -1.302449 -0.507811 Rho 0.1750350E+00 |GRAD(Rho)| 0.2831555E-13 GRAD(Rho)x 0.2575351E-13 GRAD(Rho)y -0.3948285E-14 GRAD(Rho)z -0.1108774E-13 Laplacian 0.6554104E+00 (-1/4)Del**2(Rho)) -0.1638526E+00 Diamond 0.1602615E+01 Metallicity 0.5758481E+01 Ellipticity 0.5041385E-01 Gb(Abramov) 0.2664921E+00 Vb(Abramov) -0.3691316E+00 Hb(Abramov) -0.1026395E+00 Ex_ueg -0.7231331E-01 Ec_ueg -0.1006494E-01 Delta_ex -0.7316669E-01 Delta_ec 0.1604570E-01 Delta_et -0.2179315E+00 Pxc 0.7184675E+01 Qxc -0.4559895E+01 3,-1 44 3 -1 3.558527 -0.473730 0.781384 Rho 0.2262026E+00 |GRAD(Rho)| 0.3964463E-15 GRAD(Rho)x -0.2186023E-16 GRAD(Rho)y 0.8707499E-18 GRAD(Rho)z -0.3958422E-15 Laplacian 0.8180525E+00 (-1/4)Del**2(Rho)) -0.2045131E+00 Diamond 0.2706186E+01 Metallicity 0.7073938E+01 Ellipticity 0.1935969E-02 Gb(Abramov) 0.3774609E+00 Vb(Abramov) -0.5504087E+00 Hb(Abramov) -0.1729478E+00 Ex_ueg -0.1017923E+00 Ec_ueg -0.1349055E-01 Delta_ex -0.9739451E-01 Delta_ec 0.1850977E-01 Delta_et -0.2562601E+00 Pxc 0.7545453E+01 Qxc -0.5261789E+01 3,-1 45 3 -1 -3.307678 2.785755 -0.201247 Rho 0.2241350E+00 |GRAD(Rho)| 0.2487182E-13 GRAD(Rho)x 0.1565219E-13 GRAD(Rho)y -0.1724521E-13 GRAD(Rho)z 0.8730348E-14 Laplacian 0.8330905E+00 (-1/4)Del**2(Rho)) -0.2082726E+00 Diamond 0.2703377E+01 Metallicity 0.6840752E+01 Ellipticity 0.1241359E-01 Gb(Abramov) 0.3763053E+00 Vb(Abramov) -0.5443380E+00 Hb(Abramov) -0.1680327E+00 Ex_ueg -0.1005537E+00 Ec_ueg -0.1334931E-01 Delta_ex -0.9881937E-01 Delta_ec 0.1866779E-01 Delta_et -0.2573889E+00 Pxc 0.7532500E+01 Qxc -0.5293577E+01 3,-1 46 3 -1 0.466701 -0.256995 0.987474 Rho 0.1838211E+00 |GRAD(Rho)| 0.6653000E-14 GRAD(Rho)x -0.3680297E-14 GRAD(Rho)y 0.3964412E-14 GRAD(Rho)z 0.3873146E-14 Laplacian 0.5498478E+00 (-1/4)Del**2(Rho)) -0.1374620E+00 Diamond 0.1580801E+01 Metallicity 0.7447827E+01 Ellipticity 0.2484276E-01 Gb(Abramov) 0.2622735E+00 Vb(Abramov) -0.3870849E+00 Hb(Abramov) -0.1248115E+00 Ex_ueg -0.7719317E-01 Ec_ueg -0.1064268E-01 Delta_ex -0.6331893E-01 Delta_ec 0.1538942E-01 Delta_et -0.2165428E+00 Pxc 0.7253172E+01 Qxc -0.4114445E+01 3,-1 47 3 -1 0.063332 -0.058692 1.943106 Rho 0.2233301E+00 |GRAD(Rho)| 0.1318046E-15 GRAD(Rho)x 0.1314932E-16 GRAD(Rho)y -0.2717794E-16 GRAD(Rho)z 0.1283001E-15 Laplacian 0.9607095E+00 (-1/4)Del**2(Rho)) -0.2401774E+00 Diamond 0.3267617E+01 Metallicity 0.5896576E+01 Ellipticity 0.7964363E-03 Gb(Abramov) 0.3961556E+00 Vb(Abramov) -0.5521338E+00 Hb(Abramov) -0.1559782E+00 Ex_ueg -0.1000725E+00 Ec_ueg -0.1329439E-01 Delta_ex -0.1148094E+00 Delta_ec 0.2326100E-01 Delta_et -0.3275908E+00 Pxc 0.7527424E+01 Qxc -0.4935707E+01 3,-1 48 3 -1 1.809840 -2.390966 -0.624891 Rho 0.8880798E-01 |GRAD(Rho)| 0.4886286E-13 GRAD(Rho)x 0.2895500E-13 GRAD(Rho)y 0.2144589E-13 GRAD(Rho)z 0.3300395E-13 Laplacian 0.3737822E+00 (-1/4)Del**2(Rho)) -0.9344555E-01 Diamond 0.4190599E+00 Metallicity 0.3258976E+01 Ellipticity 0.3284000E-01 Gb(Abramov) 0.1130532E+00 Vb(Abramov) -0.1326608E+00 Hb(Abramov) -0.1960762E-01 Ex_ueg -0.2926315E-01 Ec_ueg -0.4652223E-02 Delta_ex -0.3576678E-01 Delta_ec 0.1127615E-01 Delta_et -0.1372726E+00 Pxc 0.6290143E+01 Qxc -0.3171896E+01 3,-1 49 3 +1 1.741291 -1.566444 -0.193322 Rho 0.3171777E-01 |GRAD(Rho)| 0.4412068E-16 GRAD(Rho)x 0.2800455E-16 GRAD(Rho)y -0.2126706E-16 GRAD(Rho)z -0.2664755E-16 Laplacian 0.1341362E+00 (-1/4)Del**2(Rho)) -0.3353406E-01 Diamond 0.2502943E-01 Metallicity 0.1632694E+01 Ellipticity -0.5403954E+01 Gb(Abramov) 0.3148118E-01 Vb(Abramov) -0.2942830E-01 Hb(Abramov) 0.2052878E-02 Ex_ueg -0.7415184E-02 Ec_ueg -0.1432547E-02 Delta_ex -0.8947899E-02 Delta_ec 0.2371828E-02 Delta_et -0.2216074E-01 Pxc 0.5176222E+01 Qxc -0.3772575E+01 3,+1 50 3 -1 1.884276 -1.400083 -0.162494 Rho 0.3184027E-01 |GRAD(Rho)| 0.1582311E-14 GRAD(Rho)x 0.1216385E-14 GRAD(Rho)y -0.7352341E-15 GRAD(Rho)z -0.6953746E-15 Laplacian 0.1395725E+00 (-1/4)Del**2(Rho)) -0.3489312E-01 Diamond 0.2972740E-01 Metallicity 0.1579215E+01 Ellipticity 0.1031384E+02 Gb(Abramov) 0.3244604E-01 Vb(Abramov) -0.2999895E-01 Hb(Abramov) 0.2447084E-02 Ex_ueg -0.7453393E-02 Ec_ueg -0.1438915E-02 Delta_ex -0.9599087E-02 Delta_ec 0.2965858E-02 Delta_et -0.2771894E-01 Pxc 0.5179869E+01 Qxc -0.3236530E+01 3,-1 51 3 -1 -1.806105 -1.958829 -0.057272 Rho 0.1307505E+00 |GRAD(Rho)| 0.7820610E-16 GRAD(Rho)x -0.5421011E-16 GRAD(Rho)y 0.5510458E-16 GRAD(Rho)z 0.1187201E-16 Laplacian 0.5505345E+00 (-1/4)Del**2(Rho)) -0.1376336E+00 Diamond 0.9686985E+00 Metallicity 0.4216005E+01 Ellipticity 0.1010451E-01 Gb(Abramov) 0.1884664E+00 Vb(Abramov) -0.2392992E+00 Hb(Abramov) -0.5083280E-01 Ex_ueg -0.4901282E-01 Ec_ueg -0.7222909E-02 Delta_ex -0.5744917E-01 Delta_ec 0.1492924E-01 Delta_et -0.1955849E+00 Pxc 0.6785746E+01 Qxc -0.3848097E+01 3,-1 52 3 -1 -1.935252 -0.577681 0.229741 Rho 0.7544940E-01 |GRAD(Rho)| 0.2473435E-13 GRAD(Rho)x -0.1646262E-13 GRAD(Rho)y -0.1577439E-13 GRAD(Rho)z -0.9588469E-14 Laplacian 0.3336103E+00 (-1/4)Del**2(Rho)) -0.8340257E-01 Diamond 0.3014637E+00 Metallicity 0.2782702E+01 Ellipticity 0.1209189E+00 Gb(Abramov) 0.9428246E-01 Vb(Abramov) -0.1051624E+00 Hb(Abramov) -0.1087989E-01 Ex_ueg -0.2354649E-01 Ec_ueg -0.3863695E-02 Delta_ex -0.3064346E-01 Delta_ec 0.1015684E-01 Delta_et -0.1189733E+00 Pxc 0.6094292E+01 Qxc -0.3017028E+01 3,-1 53 3 -1 -0.138257 2.517259 -0.663580 Rho 0.9873703E-01 |GRAD(Rho)| 0.9271030E-13 GRAD(Rho)x 0.8974946E-13 GRAD(Rho)y -0.1223052E-13 GRAD(Rho)z -0.1976483E-13 Laplacian 0.4307960E+00 (-1/4)Del**2(Rho)) -0.1076990E+00 Diamond 0.5531882E+00 Metallicity 0.3373973E+01 Ellipticity 0.2050771E-01 Gb(Abramov) 0.1323616E+00 Vb(Abramov) -0.1570242E+00 Hb(Abramov) -0.2466258E-01 Ex_ueg -0.3370480E-01 Ec_ueg -0.5248609E-02 Delta_ex -0.4230276E-01 Delta_ec 0.1283999E-01 Delta_et -0.1600442E+00 Pxc 0.6421663E+01 Qxc -0.3294610E+01 3,-1 54 3 -1 -2.768494 2.240354 1.093799 Rho 0.2260272E+00 |GRAD(Rho)| 0.2086477E-10 GRAD(Rho)x 0.1324152E-11 GRAD(Rho)y -0.2355054E-11 GRAD(Rho)z -0.2068911E-10 Laplacian 0.8179544E+00 (-1/4)Del**2(Rho)) -0.2044886E+00 Diamond 0.2703492E+01 Metallicity 0.7065647E+01 Ellipticity 0.1821778E-02 Gb(Abramov) 0.3771331E+00 Vb(Abramov) -0.5497776E+00 Hb(Abramov) -0.1726445E+00 Ex_ueg -0.1016871E+00 Ec_ueg -0.1347856E-01 Delta_ex -0.9736415E-01 Delta_ec 0.1851326E-01 Delta_et -0.2563044E+00 Pxc 0.7544360E+01 Qxc -0.5259158E+01 3,-1 55 3 -1 -1.831877 2.444287 -0.212542 Rho 0.1719657E+00 |GRAD(Rho)| 0.1559182E-13 GRAD(Rho)x -0.1411669E-13 GRAD(Rho)y -0.3859692E-14 GRAD(Rho)z 0.5378361E-14 Laplacian 0.6905104E+00 (-1/4)Del**2(Rho)) -0.1726276E+00 Diamond 0.1633905E+01 Metallicity 0.5306964E+01 Ellipticity 0.3405613E-01 Gb(Abramov) 0.2677731E+00 Vb(Abramov) -0.3629187E+00 Hb(Abramov) -0.9514554E-01 Ex_ueg -0.7062757E-01 Ec_ueg -0.9864165E-02 Delta_ex -0.7658636E-01 Delta_ec 0.1670055E-01 Delta_et -0.2255827E+00 Pxc 0.7160015E+01 Qxc -0.4585859E+01 3,-1 56 3 -1 0.668708 -3.087339 -1.345718 Rho 0.2005697E+00 |GRAD(Rho)| 0.8517489E-14 GRAD(Rho)x 0.6383023E-14 GRAD(Rho)y -0.2163471E-14 GRAD(Rho)z -0.5208074E-14 Laplacian 0.7476764E+00 (-1/4)Del**2(Rho)) -0.1869191E+00 Diamond 0.2145298E+01 Metallicity 0.6333956E+01 Ellipticity 0.1672369E-01 Gb(Abramov) 0.3219356E+00 Vb(Abramov) -0.4569522E+00 Hb(Abramov) -0.1350165E+00 Ex_ueg -0.8671060E-01 Ec_ueg -0.1175615E-01 Delta_ex -0.8633717E-01 Delta_ec 0.1755754E-01 Delta_et -0.2413418E+00 Pxc 0.7375765E+01 Qxc -0.4917384E+01 3,-1 57 3 -1 0.892868 -1.755815 0.044960 Rho 0.7539559E-01 |GRAD(Rho)| 0.1468096E-16 GRAD(Rho)x -0.3258959E-17 GRAD(Rho)y 0.8219608E-17 GRAD(Rho)z -0.1171955E-16 Laplacian 0.3330462E+00 (-1/4)Del**2(Rho)) -0.8326154E-01 Diamond 0.3007217E+00 Metallicity 0.2784103E+01 Ellipticity 0.1199265E+00 Gb(Abramov) 0.9414248E-01 Vb(Abramov) -0.1050234E+00 Hb(Abramov) -0.1088094E-01 Ex_ueg -0.2352410E-01 Ec_ueg -0.3860554E-02 Delta_ex -0.3058750E-01 Delta_ec 0.1014236E-01 Delta_et -0.1187849E+00 Pxc 0.6093452E+01 Qxc -0.3015816E+01 3,-1 58 3 -1 1.032970 -3.561119 0.113913 Rho 0.2019921E+00 |GRAD(Rho)| 0.8178268E-14 GRAD(Rho)x 0.2217464E-15 GRAD(Rho)y 0.1532953E-14 GRAD(Rho)z 0.8030252E-14 Laplacian 0.7427789E+00 (-1/4)Del**2(Rho)) -0.1856947E+00 Diamond 0.2150179E+01 Metallicity 0.6451253E+01 Ellipticity 0.1311894E-01 Gb(Abramov) 0.3234571E+00 Vb(Abramov) -0.4612195E+00 Hb(Abramov) -0.1377624E+00 Ex_ueg -0.8753145E-01 Ec_ueg -0.1185144E-01 Delta_ex -0.8593160E-01 Delta_ec 0.1741784E-01 Delta_et -0.2395901E+00 Pxc 0.7385725E+01 Qxc -0.4933540E+01 3,-1 59 3 -1 -3.305817 -1.749566 0.367442 Rho 0.2018628E+00 |GRAD(Rho)| 0.1985196E-12 GRAD(Rho)x 0.1366471E-12 GRAD(Rho)y 0.8139675E-13 GRAD(Rho)z -0.1187946E-12 Laplacian 0.7422350E+00 (-1/4)Del**2(Rho)) -0.1855587E+00 Diamond 0.2146664E+01 Metallicity 0.6449096E+01 Ellipticity 0.1301157E-01 Gb(Abramov) 0.3231535E+00 Vb(Abramov) -0.4607483E+00 Hb(Abramov) -0.1375948E+00 Ex_ueg -0.8745676E-01 Ec_ueg -0.1184277E-01 Delta_ex -0.8585270E-01 Delta_ec 0.1740470E-01 Delta_et -0.2393850E+00 Pxc 0.7384823E+01 Qxc -0.4932731E+01 3,-1 60 3 -1 4.234478 -0.400398 -0.560971 Rho 0.2241641E+00 |GRAD(Rho)| 0.4404628E-15 GRAD(Rho)x -0.3047692E-15 GRAD(Rho)y 0.1199399E-17 GRAD(Rho)z -0.3179965E-15 Laplacian 0.8336211E+00 (-1/4)Del**2(Rho)) -0.2084053E+00 Diamond 0.2705318E+01 Metallicity 0.6837876E+01 Ellipticity 0.1242382E-01 Gb(Abramov) 0.3764451E+00 Vb(Abramov) -0.5444849E+00 Hb(Abramov) -0.1680398E+00 Ex_ueg -0.1005711E+00 Ec_ueg -0.1335130E-01 Delta_ex -0.9888445E-01 Delta_ec 0.1867685E-01 Delta_et -0.2575070E+00 Pxc 0.7532683E+01 Qxc -0.5294491E+01 3,-1 61 3 +1 -2.410353 0.175449 0.063139 Rho 0.3166358E-01 |GRAD(Rho)| 0.5149796E-14 GRAD(Rho)x -0.1324941E-14 GRAD(Rho)y -0.4824119E-14 GRAD(Rho)z -0.1221805E-14 Laplacian 0.1340676E+00 (-1/4)Del**2(Rho)) -0.3351690E-01 Diamond 0.2514239E-01 Metallicity 0.1628881E+01 Ellipticity -0.5809988E+01 Gb(Abramov) 0.3144377E-01 Vb(Abramov) -0.2937064E-01 Hb(Abramov) 0.2073128E-02 Ex_ueg -0.7398295E-02 Ec_ueg -0.1429731E-02 Delta_ex -0.8953833E-02 Delta_ec 0.2396741E-02 Delta_et -0.2238336E-01 Pxc 0.5174605E+01 Qxc -0.3735837E+01 3,+1 62 3 -1 0.333555 0.707109 1.271633 Rho 0.1949382E+00 |GRAD(Rho)| 0.1431672E-11 GRAD(Rho)x -0.5410683E-12 GRAD(Rho)y -0.1309810E-11 GRAD(Rho)z 0.2032978E-12 Laplacian 0.6447032E+00 (-1/4)Del**2(Rho)) -0.1611758E+00 Diamond 0.1964000E+01 Metallicity 0.7005108E+01 Ellipticity 0.2991555E-01 Gb(Abramov) 0.2956262E+00 Vb(Abramov) -0.4300766E+00 Hb(Abramov) -0.1344504E+00 Ex_ueg -0.8347971E-01 Ec_ueg -0.1137999E-01 Delta_ex -0.7514722E-01 Delta_ec 0.1746935E-01 Delta_et -0.2469195E+00 Pxc 0.7335655E+01 Qxc -0.4301662E+01 3,-1 63 3 -1 -3.084488 -0.340368 -0.334031 Rho 0.8887555E-01 |GRAD(Rho)| 0.9105197E-16 GRAD(Rho)x -0.5630736E-16 GRAD(Rho)y 0.7085261E-16 GRAD(Rho)z 0.9992448E-17 Laplacian 0.3743111E+00 (-1/4)Del**2(Rho)) -0.9357777E-01 Diamond 0.4199818E+00 Metallicity 0.3258499E+01 Ellipticity 0.3348934E-01 Gb(Abramov) 0.1132057E+00 Vb(Abramov) -0.1328336E+00 Hb(Abramov) -0.1962793E-01 Ex_ueg -0.2929284E-01 Ec_ueg -0.4656253E-02 Delta_ex -0.3582240E-01 Delta_ec 0.1128827E-01 Delta_et -0.1374412E+00 Pxc 0.6291075E+01 Qxc -0.3173417E+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 54 58 38 56 57 48 42 36 32 53 41 40 52 29 30 27 51 63 59 37 45 55 26 44 34 43 60 46 47 62 50 1 2 2 2 2 2 3 3 4 4 4 4 6 6 6 6 8 8 8 8 9 10 10 11 12 12 12 15 15 15 18 10 5 13 14 18 21 4 12 7 16 22 25 8 10 15 17 13 17 19 20 10 16 17 12 18 21 24 18 23 25 21 1.767173 1.810549 1.965800 1.813410 2.178195 2.120745 2.065692 1.863224 1.802069 2.067269 1.809437 2.140704 2.177645 2.449853 1.599026 2.474701 1.964875 2.120270 1.810794 1.813557 1.768859 1.861725 1.865484 1.766872 2.446431 1.865536 1.768800 1.599823 1.511487 1.574877 2.473521 1.767195 1.810602 1.966037 1.813427 2.179465 2.121296 2.066065 1.863479 1.802138 2.067636 1.809452 2.141767 2.178908 2.450664 1.599132 2.475168 1.965113 2.120826 1.810847 1.813574 1.768873 1.861974 1.865756 1.766893 2.447254 1.865808 1.768813 1.599924 1.511501 1.575034 2.474692 23 22 23 22 25 25 25 22 23 25 22 25 25 27 21 27 23 25 22 22 22 22 22 23 27 22 23 21 21 23 27 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 O Ta O Ta O O O Ta O W O W O O P O O O O O O O O O O -0.8913 2.0354 -1.0217 2.0395 -0.9953 -1.0423 -0.9669 2.0334 -0.8816 2.3160 -0.8891 2.3154 -1.0622 -0.9934 1.8903 -1.0205 -1.0258 -1.0443 -0.9956 -0.9934 -1.0260 -0.9803 -0.9479 -0.8815 -0.9710 1.9547 2.1404 1.9275 2.1446 1.9351 1.8865 1.9394 2.1405 1.9501 2.1170 1.9548 2.1173 1.9188 1.9348 2.5995 1.9272 1.9351 1.8869 1.9351 1.9347 1.9352 1.9351 1.9031 1.9501 1.8972 4.9053 6.1309 5.0656 6.1358 5.0351 5.1199 5.0014 6.1318 4.9005 6.1370 4.9030 6.1368 5.1180 5.0342 7.6803 5.0648 5.0601 5.1213 5.0355 5.0343 5.0602 5.0203 5.0089 4.9004 5.0358 0.0313 2.6624 0.0286 2.6492 0.0250 0.0359 0.0261 2.6635 0.0310 3.4027 0.0314 3.4032 0.0255 0.0244 0.8299 0.0285 0.0307 0.0361 0.0250 0.0244 0.0307 0.0249 0.0360 0.0310 0.0380 0.0000 14.0309 0.0000 14.0309 0.0000 0.0000 0.0000 14.0309 0.0000 14.0272 0.0000 14.0272 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 O Ta O Ta O O O Ta O W O W O O P O O O O O O O O O O -0.941613 2.258464 -1.029998 2.286659 -1.081642 -1.052315 -1.049196 2.257855 -0.945939 2.397900 -0.940585 2.397534 -1.090237 -1.086259 1.981860 -1.030269 -1.028347 -1.052729 -1.082252 -1.086589 -1.028154 -1.066901 -1.027327 -0.945847 -1.014072 -0.839795 1.828131 -0.807329 1.861104 -1.014925 -0.766066 -0.968080 1.827209 -0.857457 1.912217 -0.837744 1.912918 -0.868600 -1.011534 1.645197 -0.803449 -0.856091 -0.762602 -1.015487 -1.011804 -0.856304 -1.000501 -0.965699 -0.857034 -0.886275 -0.843656 1.984642 -0.896445 1.984009 -1.035156 -0.893659 -0.967060 1.987617 -0.855325 2.012004 -0.841455 2.004614 -0.979832 -1.032798 1.683997 -0.898748 -0.891815 -0.863643 -1.029265 -1.030922 -0.890190 -1.013407 -0.939942 -0.854719 -0.898846 4.57754403 8.43691723 5.72986231 11.17885521 -56.63307795 9.38913418 7.44673048 -37.19530922 -0.49874305 93.82838717 -168.7865 200.2096 4.2593 -216.6584 -50.8242 -231.8002 Apr22-2024 04:52:52 Nodes: 1 Procs: 1 Apr22-2024 04:52:52 Nodes: 1 Procs: 1 0 Apr22-2024 04:52:53 Nodes: 1 Procs: 1 Apr22-2024 04:52:54 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Apr22-2024 04:52:56 Nodes: 1 Procs: 1 Apr22-2024 04:52:57 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr22-2024 04:52:58 Nodes: 1 Procs: 1 Apr22-2024 04:52:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr22-2024 04:52:59 Nodes: 1 Procs: 24 *** (NO TITLE) *** -6 -7.67356174 -8.00478101 -8.26454764 -8.37961109 -8.43335056 -8.45544855 -8.48605563 -8.49229819 -8.49841080 -8.50283461 -8.50594136 -8.50739301 -8.50848325 -8.50942754 -8.51010960 -8.51045807 -8.51075458 -8.51103513 -8.51136531 -8.51168409 -8.51205187 -8.51220741 -8.51256312 -8.51267674 -8.51296316 -8.51325201 -8.51343112 -8.51361160 -8.51367339 -8.51378271 -8.51387624 -8.51389792 -8.51416341 -8.51447141 -8.51472357 -8.51494212 -8.51502150 -8.51534308 -8.51584395 -8.51613463 -8.51634610 -8.51647432 -8.51660363 -8.51675204 -8.51680039 -8.51694505 -8.51698976 -8.51706780 -8.51710446 -8.51714092 -8.51724731 -8.51738808 -8.51748920 -8.51757692 -8.51769556 -8.51784166 -8.51797584 -8.51803392 -8.51809675 -8.51814134 -8.51820869 -8.51828629 -8.51833153 -8.51837002 -8.51839176 -8.51842779 -8.51847655 -8.51851587 -8.51853431 -8.51855063 -8.51854583 -8.51853573 -8.51854444 -8.51853599 -8.51852427 -8.51850778 -8.51849410 -8.51850113 -8.51850040 GEOMETRY CONVERGED