612 Lattice="16.63599307397477 0.0 0.0 -8.317996536987387 14.407192619244125 0.0 0.0 0.0 38.485822484840256" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3097.851524473982 stress="139.879713294281 -0.002740944348497365 -0.008288350493558028 -0.002740944348497365 139.9016230960435 -0.03312443156038558 -0.008288350493558028 -0.03312443156038558 0.002092416616978454" pbc="T T F" Pd 0.00390890 0.00381169 0.02424754 -0.00000007 -0.00000540 0.00000051 Pd 2.77657440 0.00381171 0.02424761 0.00000006 -0.00000565 -0.00000009 Pd 1.39024168 2.40501045 0.02424750 -0.00000030 -0.00000541 0.00000039 Pd -1.38242383 2.40501048 0.02424744 0.00000014 -0.00000558 0.00000039 Pd 2.77657440 1.60460910 2.27774859 -0.00000058 -0.00000526 0.00000084 Pd 5.54923993 1.60460910 2.27774860 -0.00000025 -0.00000600 -0.00000017 Pd 4.16290721 4.00580784 2.27774852 -0.00000113 -0.00000535 0.00000055 Pd 1.39024162 4.00580789 2.27774852 0.00000032 -0.00000568 0.00000026 Pd 5.54923981 3.20540487 4.53240201 -0.00000123 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-0.00000303 -0.00000411 0.00000051 Pd -4.15509224 10.40898112 11.32337192 -0.00000036 -0.00000449 -0.00000001 Pd 0.00390425 9.60857191 13.58723998 -0.00000196 -0.00000281 0.00000118 Pd 2.77656973 9.60857197 13.58724005 -0.00000142 -0.00000422 -0.00000066 Pd 1.39023699 12.00977071 13.58724003 -0.00000273 -0.00000346 0.00000042 Pd -1.38242860 12.00977070 13.58724005 -0.00000041 -0.00000364 0.00000004 Pd 2.77656732 11.20936044 15.85111321 -0.00000141 -0.00000190 0.00000079 Pd 5.54923280 11.20936049 15.85111327 -0.00000106 -0.00000306 -0.00000074 Pd 4.16290006 13.61055926 15.85111325 -0.00000212 -0.00000265 0.00000022 Pd 1.39023450 13.61055923 15.85111326 -0.00000025 -0.00000272 0.00000001 Pd 5.54923003 12.81014816 18.11498527 -0.00000090 -0.00000068 0.00000041 Pd 8.32189554 12.81014817 18.11498529 -0.00000087 -0.00000144 -0.00000067 Pd 15.25355933 0.80415434 18.11498527 -0.00000155 -0.00000147 0.00000015 Pd 12.48089378 0.80415435 18.11498529 -0.00000019 -0.00000151 0.00000009 Pd 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-0.00000034 Pd 9.70821536 7.20730567 27.17049007 0.00000104 0.00000399 -0.00000021 Pd 6.93554987 7.20730568 27.17049007 0.00000048 0.00000430 0.00000025 Pd 11.09454504 6.40689703 29.43419027 0.00000183 0.00000614 -0.00000066 Pd -2.76878247 6.40689699 29.43419028 0.00000110 0.00000660 -0.00000022 Pd -4.15511524 8.80809581 29.43419025 0.00000173 0.00000550 -0.00000019 Pd 9.70821234 8.80809585 29.43419023 0.00000105 0.00000576 0.00000029 Pd -2.76878516 8.00768898 31.69756845 0.00000254 0.00000729 -0.00000065 Pd 0.00388037 8.00768901 31.69756850 0.00000201 0.00000758 -0.00000028 Pd -1.38245240 10.40888779 31.69756846 0.00000260 0.00000673 -0.00000030 Pd -4.15511788 10.40888778 31.69756842 0.00000187 0.00000707 0.00000017 Pd 0.00387838 9.60848324 33.95222201 0.00000323 0.00000794 -0.00000068 Pd 2.77654392 9.60848328 33.95222202 0.00000283 0.00000814 -0.00000038 Pd 1.39021117 12.00968204 33.95222200 0.00000322 0.00000759 -0.00000039 Pd -1.38245433 12.00968201 33.95222196 0.00000274 0.00000788 -0.00000005 Pd 2.77654279 11.20927975 36.20572309 0.00000354 0.00000827 -0.00000059 Pd 5.54920834 11.20927974 36.20572310 0.00000338 0.00000837 -0.00000045 Pd 4.16287561 13.61047851 36.20572311 0.00000344 0.00000815 -0.00000049 Pd 1.39021009 13.61047850 36.20572304 0.00000328 0.00000826 -0.00000020 Pd -2.76875656 4.80620929 0.02424735 -0.00000022 -0.00000556 0.00000093 Pd 0.00390893 4.80620926 0.02424741 -0.00000004 -0.00000571 0.00000035 Pd -1.38242383 7.20740807 0.02424739 -0.00000033 -0.00000559 0.00000068 Pd -4.15508934 7.20740810 0.02424741 0.00000011 -0.00000575 0.00000051 Pd 0.00390890 6.40700665 2.27774846 -0.00000060 -0.00000529 0.00000111 Pd 2.77657441 6.40700663 2.27774851 -0.00000020 -0.00000599 0.00000003 Pd 1.39024168 8.80820537 2.27774850 -0.00000109 -0.00000530 0.00000059 Pd -1.38242388 8.80820542 2.27774854 0.00000027 -0.00000563 0.00000024 Pd 2.77657428 8.00780238 4.53240199 -0.00000117 -0.00000497 0.00000127 Pd 5.54923979 8.00780239 4.53240204 -0.00000065 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11.32337193 -0.00000031 -0.00000446 -0.00000006 Pd 5.54923519 0.00377680 13.58724004 -0.00000174 -0.00000272 0.00000097 Pd 0.00390415 14.41096950 13.58724011 -0.00000122 -0.00000418 -0.00000084 Pd 6.93556798 2.40497561 13.58724008 -0.00000266 -0.00000336 0.00000025 Pd 4.16290240 2.40497560 13.58724008 -0.00000037 -0.00000359 -0.00000008 Pd 8.32189830 1.60456535 15.85111326 -0.00000132 -0.00000187 0.00000066 Pd 11.09456380 1.60456543 15.85111331 -0.00000102 -0.00000309 -0.00000083 Pd 9.70823109 4.00576418 15.85111328 -0.00000216 -0.00000266 0.00000018 Pd 6.93556552 4.00576415 15.85111328 -0.00000024 -0.00000274 -0.00000003 Pd 11.09456104 3.20535311 18.11498528 -0.00000091 -0.00000079 0.00000040 Pd 13.86722656 3.20535314 18.11498531 -0.00000086 -0.00000159 -0.00000068 Pd 12.48089385 5.60655191 18.11498529 -0.00000163 -0.00000155 0.00000013 Pd 9.70822827 5.60655191 18.11498529 -0.00000021 -0.00000157 0.00000009 Pd -2.76876958 4.80614043 20.37885732 -0.00000043 0.00000054 0.00000005 Pd 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