612 Lattice="16.638794357928912 0.0 0.0 -8.319397178964456 14.409618602311626 0.0 0.0 0.0 38.49230299469073" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3557.8881459186364 stress="58.44854496939928 0.004542291048305058 -0.009015853599245727 0.004542291048305058 58.41099570624543 -0.03727154322424919 -0.009015853599245727 -0.03727154322424919 0.00024003390267335334" pbc="T T F" Pt 0.00396124 0.00402010 0.05907800 -0.00000194 -0.00000777 -0.00000023 Pt 2.77709364 0.00402010 0.05907802 -0.00000193 -0.00000777 -0.00000045 Pt 1.39052744 2.40562320 0.05907801 -0.00000193 -0.00000774 -0.00000027 Pt -1.38260495 2.40562320 0.05907800 -0.00000192 -0.00000776 -0.00000024 Pt 2.77709182 1.60508135 2.25982236 -0.00000189 -0.00000747 0.00000070 Pt 5.55022421 1.60508134 2.25982236 -0.00000178 -0.00000744 0.00000061 Pt 4.16365801 4.00668445 2.25982237 -0.00000177 -0.00000758 0.00000052 Pt 1.39052562 4.00668445 2.25982237 -0.00000187 -0.00000757 0.00000047 Pt 5.55021968 3.20613139 4.53372899 -0.00000172 -0.00000702 -0.00000020 Pt 8.32335208 3.20613139 4.53372898 -0.00000170 -0.00000705 -0.00000015 Pt 6.93678588 5.60773449 4.53372898 -0.00000173 -0.00000701 -0.00000009 Pt 4.16365348 5.60773449 4.53372898 -0.00000168 -0.00000703 -0.00000015 Pt 8.32334573 4.80717392 6.79659335 -0.00000151 -0.00000621 0.00000015 Pt 11.09647812 4.80717392 6.79659336 -0.00000149 -0.00000626 0.00000008 Pt 9.70991193 7.20877702 6.79659335 -0.00000155 -0.00000624 0.00000012 Pt 6.93677953 7.20877702 6.79659336 -0.00000147 -0.00000624 0.00000010 Pt 11.09646997 6.40820895 9.06104802 -0.00000129 -0.00000525 0.00000005 Pt -2.76919200 6.40820895 9.06104803 -0.00000124 -0.00000530 -0.00000002 Pt -4.15575819 8.80981205 9.06104803 -0.00000131 -0.00000523 0.00000001 Pt 9.70990377 8.80981205 9.06104803 -0.00000122 -0.00000526 0.00000000 Pt -2.76920164 8.00923780 11.32527190 -0.00000098 -0.00000408 0.00000008 Pt 0.00393076 8.00923781 11.32527191 -0.00000100 -0.00000415 0.00000001 Pt -1.38263544 10.41084091 11.32527190 -0.00000105 -0.00000410 0.00000005 Pt -4.15576784 10.41084091 11.32527191 -0.00000092 -0.00000409 0.00000001 Pt 0.00391995 9.61026183 13.58952924 -0.00000072 -0.00000280 0.00000006 Pt 2.77705234 9.61026183 13.58952925 -0.00000065 -0.00000284 -0.00000002 Pt 1.39048615 12.01186493 13.58952925 -0.00000072 -0.00000279 0.00000001 Pt -1.38264625 12.01186493 13.58952925 -0.00000065 -0.00000282 0.00000001 Pt 2.77704073 11.21128253 15.85378174 -0.00000034 -0.00000141 0.00000005 Pt 5.55017312 11.21128254 15.85378174 -0.00000037 -0.00000146 -0.00000000 Pt 4.16360693 13.61288563 15.85378174 -0.00000040 -0.00000144 0.00000004 Pt 1.39047453 13.61288563 15.85378174 -0.00000030 -0.00000142 0.00000001 Pt 5.55016109 12.81230155 18.11803493 -0.00000004 0.00000002 0.00000001 Pt 8.32329348 12.81230155 18.11803493 0.00000002 0.00000000 -0.00000004 Pt 15.25612447 0.80428605 18.11803493 -0.00000002 0.00000001 -0.00000002 Pt 12.48299207 0.80428606 18.11803493 0.00000000 -0.00000003 0.00000000 Pt 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9.70981551 7.20837865 27.17502184 0.00000131 0.00000525 -0.00000003 Pt 6.93668313 7.20837866 27.17502184 0.00000125 0.00000523 -0.00000002 Pt 11.09637356 6.40781058 29.43947651 0.00000153 0.00000625 -0.00000010 Pt -2.76928840 6.40781058 29.43947650 0.00000149 0.00000626 -0.00000008 Pt -4.15585460 8.80941368 29.43947650 0.00000152 0.00000623 -0.00000006 Pt 9.70980737 8.80941368 29.43947650 0.00000151 0.00000626 -0.00000006 Pt -2.76929472 8.00885311 31.70234089 0.00000169 0.00000700 0.00000003 Pt 0.00383767 8.00885311 31.70234088 0.00000170 0.00000702 0.00000005 Pt -1.38272853 10.41045621 31.70234089 0.00000173 0.00000703 -0.00000001 Pt -4.15586092 10.41045621 31.70234088 0.00000170 0.00000701 0.00000004 Pt 0.00383315 9.60990315 33.97624748 0.00000200 0.00000759 -0.00000022 Pt 2.77696556 9.60990316 33.97624747 0.00000171 0.00000755 -0.00000012 Pt 1.39039936 12.01150626 33.97624748 0.00000179 0.00000743 -0.00000032 Pt -1.38273304 12.01150625 33.97624748 0.00000184 0.00000758 -0.00000028 Pt 2.77696375 11.21096442 36.17699187 0.00000189 0.00000771 0.00000005 Pt 5.55009615 11.21096441 36.17699187 0.00000192 0.00000774 -0.00000004 Pt 4.16352995 13.61256752 36.17699187 0.00000193 0.00000771 0.00000013 Pt 1.39039756 13.61256751 36.17699186 0.00000187 0.00000772 0.00000025 Pt -2.76917115 4.80722630 0.05907800 -0.00000192 -0.00000777 -0.00000012 Pt 0.00396124 4.80722630 0.05907800 -0.00000191 -0.00000774 -0.00000015 Pt -1.38260496 7.20882940 0.05907799 -0.00000190 -0.00000783 -0.00000009 Pt -4.15573735 7.20882940 0.05907800 -0.00000190 -0.00000783 -0.00000013 Pt 0.00395943 6.40828755 2.25982238 -0.00000191 -0.00000757 0.00000036 Pt 2.77709182 6.40828755 2.25982237 -0.00000181 -0.00000750 0.00000042 Pt 1.39052562 8.80989065 2.25982237 -0.00000174 -0.00000758 0.00000045 Pt -1.38260677 8.80989066 2.25982237 -0.00000188 -0.00000770 0.00000048 Pt 2.77708729 8.00933759 4.53372898 -0.00000172 -0.00000700 -0.00000014 Pt 5.55021968 8.00933759 4.53372898 -0.00000168 -0.00000703 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-0.00000093 -0.00000409 0.00000001 Pt -2.76921244 14.41346803 13.58952925 -0.00000072 -0.00000280 0.00000006 Pt 0.00391995 14.41346803 13.58952925 -0.00000065 -0.00000284 -0.00000002 Pt 6.93675093 2.40545252 13.58952925 -0.00000072 -0.00000279 0.00000001 Pt 4.16361854 2.40545253 13.58952925 -0.00000065 -0.00000283 0.00000001 Pt 8.32330551 1.60487013 15.85378174 -0.00000034 -0.00000140 0.00000004 Pt 11.09643791 1.60487013 15.85378174 -0.00000037 -0.00000146 -0.00000000 Pt 9.70987171 4.00647323 15.85378174 -0.00000040 -0.00000144 0.00000004 Pt 6.93673931 4.00647323 15.85378174 -0.00000030 -0.00000142 0.00000001 Pt 11.09642588 3.20588915 18.11803493 -0.00000004 0.00000002 0.00000001 Pt 13.86955827 3.20588915 18.11803493 0.00000002 0.00000001 -0.00000004 Pt 12.48299207 5.60749225 18.11803493 -0.00000002 0.00000000 -0.00000002 Pt 9.70985968 5.60749226 18.11803493 0.00000000 -0.00000003 0.00000000 Pt -2.76924813 4.80690817 20.38228812 0.00000037 0.00000145 -0.00000001 Pt 0.00388427 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-0.00000011 Pt 6.93678588 0.80452829 4.53372899 -0.00000169 -0.00000702 -0.00000021 Pt 2.77708095 14.41358632 6.79659335 -0.00000151 -0.00000622 0.00000016 Pt 5.55021334 14.41358632 6.79659336 -0.00000150 -0.00000628 0.00000010 Pt 12.48304432 2.40557082 6.79659336 -0.00000154 -0.00000622 0.00000012 Pt 9.70991193 2.40557082 6.79659336 -0.00000147 -0.00000624 0.00000010 Pt 13.86960237 1.60500274 9.06104802 -0.00000129 -0.00000524 0.00000006 Pt 0.00394040 1.60500275 9.06104803 -0.00000124 -0.00000530 -0.00000002 Pt -1.38262579 4.00660585 9.06104803 -0.00000131 -0.00000523 0.00000001 Pt 12.48303616 4.00660585 9.06104803 -0.00000122 -0.00000526 -0.00000000 Pt 0.00393076 3.20603160 11.32527190 -0.00000099 -0.00000407 0.00000008 Pt 2.77706315 3.20603161 11.32527191 -0.00000100 -0.00000415 0.00000000 Pt 1.39049696 5.60763471 11.32527190 -0.00000105 -0.00000410 0.00000005 Pt -1.38263544 5.60763470 11.32527191 -0.00000093 -0.00000409 0.00000002 Pt 2.77705234 4.80705562 13.58952925 -0.00000072 -0.00000280 0.00000006 Pt 5.55018473 4.80705563 13.58952925 -0.00000065 -0.00000284 -0.00000003 Pt 4.16361854 7.20865872 13.58952925 -0.00000072 -0.00000279 0.00000001 Pt 1.39048614 7.20865873 13.58952925 -0.00000065 -0.00000283 0.00000001 Pt 5.55017312 6.40807633 15.85378174 -0.00000034 -0.00000140 0.00000005 Pt 8.32330551 6.40807633 15.85378174 -0.00000037 -0.00000146 -0.00000001 Pt 6.93673932 8.80967943 15.85378174 -0.00000041 -0.00000144 0.00000004 Pt 4.16360692 8.80967943 15.85378174 -0.00000030 -0.00000142 0.00000001 Pt 8.32329349 8.00909535 18.11803493 -0.00000004 0.00000002 0.00000001 Pt 11.09642588 8.00909535 18.11803493 0.00000002 0.00000000 -0.00000004 Pt 9.70985968 10.41069845 18.11803493 -0.00000002 0.00000001 -0.00000002 Pt 6.93672729 10.41069846 18.11803493 0.00000001 -0.00000003 -0.00000000 Pt -5.54238052 9.61011438 20.38228812 0.00000037 0.00000144 -0.00000000 Pt -2.76924813 9.61011438 20.38228812 0.00000031 0.00000142 -0.00000001 Pt -4.15581432 12.01171748 20.38228812 0.00000032 0.00000141 0.00000002 Pt -6.92894672 12.01171748 20.38228812 0.00000036 0.00000144 -0.00000000 Pt -2.76925976 11.21113508 22.64654062 0.00000066 0.00000282 -0.00000004 Pt 0.00387263 11.21113508 22.64654062 0.00000071 0.00000284 -0.00000004 Pt -1.38269357 13.61273818 22.64654062 0.00000070 0.00000281 -0.00000004 Pt -4.15582596 13.61273818 22.64654062 0.00000066 0.00000278 -0.00000002 Pt 0.00386179 12.81215910 24.91079796 0.00000103 0.00000411 -0.00000004 Pt 2.77699419 12.81215910 24.91079795 0.00000097 0.00000411 -0.00000001 Pt 9.70982517 0.80414360 24.91079795 0.00000100 0.00000408 0.00000000 Pt 6.93669278 0.80414360 24.91079796 0.00000100 0.00000411 -0.00000001 Pt 2.77698453 14.41318795 27.17502184 0.00000127 0.00000526 -0.00000005 Pt 5.55011692 14.41318795 27.17502184 0.00000130 0.00000530 -0.00000004 Pt 12.48294791 2.40517245 27.17502184 0.00000131 0.00000526 -0.00000004 Pt 9.70981552 2.40517245 27.17502184 0.00000125 0.00000523 -0.00000003 Pt 13.86950595 1.60460438 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0.00000171 0.00000702 0.00000009 Pt 12.48293344 0.80404381 31.70234088 0.00000166 0.00000701 0.00000012 Pt -8.31556401 14.41310936 33.97624748 0.00000178 0.00000743 -0.00000031 Pt 2.77696556 0.00349075 33.97624748 0.00000183 0.00000760 -0.00000029 Pt 1.39039935 2.40509385 33.97624749 0.00000196 0.00000760 -0.00000039 Pt -1.38273303 2.40509385 33.97624749 0.00000175 0.00000760 -0.00000047 Pt 2.77696376 1.60455201 36.17699187 0.00000185 0.00000775 0.00000011 Pt 5.55009615 1.60455201 36.17699186 0.00000185 0.00000777 0.00000028 Pt 4.16352996 4.00615511 36.17699186 0.00000187 0.00000782 0.00000019 Pt 1.39039757 4.00615511 36.17699186 0.00000187 0.00000780 0.00000014 Pt 5.55022603 9.61043250 0.05907800 -0.00000189 -0.00000781 -0.00000013 Pt 8.32335842 9.61043250 0.05907800 -0.00000190 -0.00000784 -0.00000017 Pt 6.93679222 12.01203560 0.05907800 -0.00000191 -0.00000779 -0.00000023 Pt 4.16365983 12.01203560 0.05907800 -0.00000190 -0.00000780 -0.00000020 Pt 8.32335661 11.21149375 2.25982237 -0.00000186 -0.00000755 0.00000053 Pt -5.54230536 11.21149376 2.25982236 -0.00000180 -0.00000757 0.00000060 Pt -6.92887155 13.61309686 2.25982236 -0.00000196 -0.00000755 0.00000067 Pt 6.93679041 13.61309685 2.25982237 -0.00000176 -0.00000755 0.00000048 Pt -5.54230989 12.81254379 4.53372899 -0.00000169 -0.00000699 -0.00000021 Pt -2.76917750 12.81254379 4.53372899 -0.00000169 -0.00000702 -0.00000032 Pt 4.16365349 0.80452829 4.53372899 -0.00000172 -0.00000701 -0.00000022 Pt 1.39052109 0.80452829 4.53372899 -0.00000166 -0.00000702 -0.00000025 Pt -2.76918384 14.41358632 6.79659335 -0.00000151 -0.00000620 0.00000018 Pt 0.00394855 14.41358632 6.79659336 -0.00000149 -0.00000625 0.00000010 Pt 6.93677954 2.40557082 6.79659335 -0.00000153 -0.00000624 0.00000014 Pt 4.16364714 2.40557082 6.79659335 -0.00000146 -0.00000624 0.00000012 Pt 8.32333758 1.60500275 9.06104802 -0.00000129 -0.00000525 0.00000005 Pt 11.09646997 1.60500275 9.06104803 -0.00000125 -0.00000530 -0.00000002 Pt 9.70990378 4.00660584 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-0.00000001 Pt 4.16356038 0.80414360 24.91079796 0.00000100 0.00000408 0.00000000 Pt 1.39042799 0.80414360 24.91079796 0.00000100 0.00000411 -0.00000002 Pt -2.76928025 14.41318796 27.17502184 0.00000126 0.00000526 -0.00000006 Pt 0.00385214 14.41318795 27.17502184 0.00000130 0.00000530 -0.00000004 Pt 6.93668312 2.40517245 27.17502184 0.00000131 0.00000526 -0.00000004 Pt 4.16355073 2.40517246 27.17502184 0.00000125 0.00000523 -0.00000003 Pt 8.32324117 1.60460438 29.43947651 0.00000153 0.00000624 -0.00000012 Pt 11.09637356 1.60460438 29.43947651 0.00000151 0.00000624 -0.00000008 Pt 9.70980737 4.00620748 29.43947651 0.00000153 0.00000625 -0.00000008 Pt 6.93667498 4.00620748 29.43947651 0.00000149 0.00000625 -0.00000009 Pt 11.09636724 3.20564691 31.70234088 0.00000169 0.00000699 0.00000013 Pt 13.86949963 3.20564691 31.70234088 0.00000171 0.00000701 0.00000015 Pt 12.48293344 5.60725001 31.70234088 0.00000172 0.00000698 0.00000006 Pt 9.70980105 5.60725002 31.70234089 0.00000168 0.00000696 0.00000004 Pt -2.76929923 4.80669695 33.97624749 0.00000184 0.00000756 -0.00000038 Pt 0.00383317 4.80669695 33.97624748 0.00000182 0.00000760 -0.00000034 Pt -1.38273303 7.20830006 33.97624748 0.00000182 0.00000748 -0.00000028 Pt -4.15586542 7.20830005 33.97624747 0.00000182 0.00000766 -0.00000017 Pt 0.00383137 6.40775821 36.17699187 0.00000189 0.00000780 0.00000008 Pt 2.77696376 6.40775821 36.17699186 0.00000188 0.00000784 0.00000010 Pt 1.39039756 8.80936131 36.17699187 0.00000190 0.00000779 -0.00000004 Pt -1.38273483 8.80936131 36.17699186 0.00000186 0.00000779 0.00000013