180 Lattice="9.093266755342485 0.0 0.0 0.0 9.093266755342485 0.0 0.0 0.0 60.6217783689499" Properties=species:S:1:pos:R:3:forces:R:3 energy=-925.7214591624124 stress="0.006567211879629449 -1.5732840124095966e-12 2.812874704218139e-07 -1.5732840124095966e-12 0.006567211884681581 -1.416705077465004e-06 2.812874704218139e-07 -1.416705077465004e-06 3.624927646380055e-07" free_energy=-925.7214591624124 pbc="T T F" V -0.00078373 0.01116189 15.22924289 -0.00000122 -0.00000437 0.00000142 V 1.51475986 1.52670339 16.63375479 -0.00000088 -0.00000418 0.00000184 V -0.00078592 0.01115271 18.20617441 -0.00000082 -0.00000527 0.00000064 V 1.51475710 1.52668926 19.70595582 -0.00000013 -0.00000312 0.00000074 V -0.00078877 0.01113427 21.22611018 -0.00000017 -0.00000618 0.00000236 V 1.51475450 1.52666479 22.74006454 0.00000114 -0.00000174 0.00000020 V -0.00079034 0.01110449 24.25616633 0.00000096 -0.00000561 0.00000021 V 1.51475458 1.52662978 25.77152871 0.00000236 -0.00000080 0.00000240 V -0.00078800 0.01106486 27.28713478 0.00000204 -0.00000327 -0.00000010 V 1.51475961 1.52658672 28.80265828 0.00000290 -0.00000035 0.00000074 V -0.00078015 0.01101893 30.31821715 0.00000237 -0.00000016 0.00000051 V 1.51477024 1.52653961 31.83374090 0.00000221 0.00000006 -0.00000071 V -0.00076720 0.01097123 33.34934657 0.00000164 0.00000270 0.00000105 V 1.51478497 1.52649298 34.86470955 0.00000060 0.00000117 -0.00000165 V -0.00075158 0.01092656 36.38081140 0.00000011 0.00000501 -0.00000156 V 1.51480057 1.52645177 37.89476548 -0.00000128 0.00000353 -0.00000013 V -0.00073689 0.01088997 39.41492031 -0.00000179 0.00000681 -0.00000211 V 1.51481318 1.52642139 40.91470187 -0.00000286 0.00000655 -0.00000216 V -0.00072625 0.01086513 42.48712128 -0.00000336 0.00000815 -0.00000138 V 1.51482076 1.52640394 43.89163320 -0.00000379 0.00000853 -0.00000206 V -0.00078385 3.04225078 15.22924291 -0.00000108 -0.00000435 0.00000166 V 1.51475987 4.55779235 16.63375483 -0.00000088 -0.00000463 0.00000156 V -0.00078595 3.04224163 18.20617432 -0.00000076 -0.00000528 0.00000138 V 1.51475710 4.55777847 19.70595587 -0.00000013 -0.00000590 0.00000020 V -0.00078878 3.04222321 21.22611011 -0.00000014 -0.00000633 0.00000306 V 1.51475449 4.55775418 22.74006458 0.00000115 -0.00000616 -0.00000015 V -0.00079034 3.04219346 24.25616633 0.00000094 -0.00000616 0.00000009 V 1.51475457 4.55771909 25.77152870 0.00000240 -0.00000457 0.00000246 V -0.00078799 3.04215390 27.28713487 0.00000201 -0.00000451 -0.00000098 V 1.51475961 4.55767578 28.80265825 0.00000288 -0.00000172 0.00000106 V -0.00078015 3.04210804 30.31821728 0.00000238 -0.00000201 -0.00000057 V 1.51477025 4.55762840 31.83374086 0.00000221 0.00000129 -0.00000033 V -0.00076720 3.04206037 33.34934663 0.00000166 0.00000064 0.00000042 V 1.51478498 4.55758161 34.86470952 0.00000059 0.00000390 -0.00000137 V -0.00075158 3.04201565 36.38081139 0.00000012 0.00000335 -0.00000151 V 1.51480058 4.55754043 37.89476547 -0.00000131 0.00000597 -0.00000001 V -0.00073689 3.04197897 39.41492026 -0.00000180 0.00000594 -0.00000166 V 1.51481315 4.55751022 40.91470188 -0.00000282 0.00000744 -0.00000214 V -0.00072624 3.04195405 42.48712124 -0.00000340 0.00000803 -0.00000110 V 1.51482071 4.55749285 43.89163315 -0.00000376 0.00000859 -0.00000198 V -0.00078375 6.07333974 15.22924298 -0.00000120 -0.00000433 0.00000146 V 1.51475992 7.58888133 16.63375477 -0.00000096 -0.00000467 0.00000209 V -0.00078592 6.07333040 18.20617432 -0.00000081 -0.00000386 0.00000107 V 1.51475712 7.58886738 19.70595577 -0.00000019 -0.00000590 0.00000117 V -0.00078877 6.07331172 21.22611014 -0.00000018 -0.00000245 0.00000278 V 1.51475450 7.58884313 22.74006455 0.00000114 -0.00000647 0.00000019 V -0.00079035 6.07328187 24.25616632 0.00000098 -0.00000124 0.00000030 V 1.51475456 7.58880810 25.77152877 0.00000244 -0.00000549 0.00000186 V -0.00078800 6.07324239 27.28713481 0.00000204 -0.00000049 -0.00000036 V 1.51475961 7.58876486 28.80265834 0.00000290 -0.00000332 0.00000007 V -0.00078015 6.07319677 30.31821721 0.00000236 -0.00000017 0.00000007 V 1.51477025 7.58871752 31.83374094 0.00000219 -0.00000069 -0.00000117 V -0.00076720 6.07314932 33.34934661 0.00000167 0.00000044 0.00000067 V 1.51478498 7.58867072 34.86470955 0.00000058 0.00000201 -0.00000170 V -0.00075158 6.07310470 36.38081142 0.00000009 0.00000220 -0.00000176 V 1.51480058 7.58862948 37.89476544 -0.00000130 0.00000466 0.00000026 V -0.00073690 6.07306798 39.41492031 -0.00000179 0.00000505 -0.00000213 V 1.51481315 7.58859919 40.91470183 -0.00000280 0.00000700 -0.00000178 V -0.00072630 6.07304300 42.48712127 -0.00000328 0.00000787 -0.00000134 V 1.51482070 7.58858180 43.89163316 -0.00000374 0.00000853 -0.00000186 V 3.03030508 0.01116184 15.22924302 -0.00000105 -0.00000432 0.00000127 V 4.54584885 1.52670341 16.63375479 -0.00000104 -0.00000420 0.00000201 V 3.03030292 0.01115271 18.20617434 -0.00000017 -0.00000530 0.00000068 V 4.54584606 1.52668926 19.70595576 -0.00000056 -0.00000312 0.00000104 V 3.03029999 0.01113428 21.22611016 0.00000138 -0.00000623 0.00000240 V 4.54584349 1.52666479 22.74006454 0.00000035 -0.00000173 0.00000013 V 3.03029842 0.01110447 24.25616631 0.00000251 -0.00000556 0.00000034 V 4.54584358 1.52662977 25.77152876 0.00000154 -0.00000080 0.00000198 V 3.03030085 0.01106484 27.28713477 0.00000269 -0.00000323 -0.00000001 V 4.54584858 1.52658672 28.80265833 0.00000234 -0.00000035 0.00000031 V 3.03030882 0.01101893 30.31821717 0.00000188 -0.00000019 0.00000046 V 4.54585917 1.52653961 31.83374092 0.00000214 0.00000005 -0.00000090 V 3.03032183 0.01097124 33.34934658 0.00000048 0.00000267 0.00000091 V 4.54587385 1.52649298 34.86470954 0.00000097 0.00000117 -0.00000157 V 3.03033745 0.01092657 36.38081142 -0.00000106 0.00000499 -0.00000169 V 4.54588944 1.52645176 37.89476545 -0.00000083 0.00000353 0.00000008 V 3.03035209 0.01088995 39.41492033 -0.00000246 0.00000685 -0.00000216 V 4.54590210 1.52642136 40.91470182 -0.00000270 0.00000659 -0.00000198 V 3.03036276 0.01086509 42.48712126 -0.00000356 0.00000823 -0.00000135 V 4.54590970 1.52640384 43.89163325 -0.00000379 0.00000865 -0.00000204 V 3.03030505 3.04225072 15.22924303 -0.00000101 -0.00000428 0.00000153 V 4.54584885 4.55779236 16.63375483 -0.00000103 -0.00000463 0.00000173 V 3.03030290 3.04224161 18.20617425 -0.00000015 -0.00000527 0.00000143 V 4.54584607 4.55777847 19.70595580 -0.00000060 -0.00000589 0.00000056 V 3.03029998 3.04222321 21.22611009 0.00000140 -0.00000635 0.00000312 V 4.54584349 4.55775418 22.74006457 0.00000037 -0.00000616 -0.00000015 V 3.03029841 3.04219345 24.25616631 0.00000253 -0.00000612 0.00000025 V 4.54584356 4.55771909 25.77152872 0.00000160 -0.00000458 0.00000212 V 3.03030085 3.04215389 27.28713486 0.00000268 -0.00000450 -0.00000087 V 4.54584859 4.55767578 28.80265828 0.00000231 -0.00000173 0.00000069 V 3.03030882 3.04210805 30.31821728 0.00000187 -0.00000205 -0.00000059 V 4.54585919 4.55762839 31.83374087 0.00000209 0.00000131 -0.00000047 V 3.03032184 3.04206037 33.34934665 0.00000046 0.00000064 0.00000029 V 4.54587386 4.55758161 34.86470951 0.00000094 0.00000391 -0.00000130 V 3.03033745 3.04201565 36.38081141 -0.00000107 0.00000335 -0.00000165 V 4.54588943 4.55754043 37.89476545 -0.00000081 0.00000596 0.00000016 V 3.03035208 3.04197896 39.41492029 -0.00000245 0.00000597 -0.00000172 V 4.54590206 4.55751019 40.91470185 -0.00000260 0.00000747 -0.00000202 V 3.03036276 3.04195400 42.48712123 -0.00000357 0.00000812 -0.00000109 V 4.54590971 4.55749276 43.89163322 -0.00000384 0.00000869 -0.00000202 V 3.03030515 6.07333967 15.22924309 -0.00000115 -0.00000426 0.00000131 V 4.54584887 7.58888133 16.63375477 -0.00000102 -0.00000469 0.00000226 V 3.03030292 6.07333037 18.20617429 -0.00000018 -0.00000379 0.00000103 V 4.54584606 7.58886738 19.70595570 -0.00000056 -0.00000592 0.00000149 V 3.03030000 6.07331172 21.22611012 0.00000136 -0.00000244 0.00000280 V 4.54584350 7.58884312 22.74006454 0.00000034 -0.00000647 0.00000016 V 3.03029840 6.07328187 24.25616629 0.00000257 -0.00000124 0.00000048 V 4.54584358 7.58880810 25.77152881 0.00000154 -0.00000547 0.00000149 V 3.03030084 6.07324240 27.28713478 0.00000271 -0.00000054 -0.00000019 V 4.54584859 7.58876486 28.80265838 0.00000230 -0.00000332 -0.00000033 V 3.03030883 6.07319677 30.31821719 0.00000183 -0.00000019 0.00000012 V 4.54585917 7.58871752 31.83374095 0.00000214 -0.00000069 -0.00000134 V 3.03032184 6.07314930 33.34934661 0.00000046 0.00000050 0.00000061 V 4.54587384 7.58867072 34.86470954 0.00000100 0.00000201 -0.00000160 V 3.03033746 6.07310469 36.38081143 -0.00000109 0.00000221 -0.00000184 V 4.54588944 7.58862948 37.89476541 -0.00000085 0.00000467 0.00000046 V 3.03035207 6.07306798 39.41492033 -0.00000244 0.00000503 -0.00000214 V 4.54590207 7.58859915 40.91470179 -0.00000266 0.00000704 -0.00000162 V 3.03036271 6.07304297 42.48712126 -0.00000346 0.00000790 -0.00000131 V 4.54590968 7.58858171 43.89163322 -0.00000379 0.00000863 -0.00000188 V 6.06139412 0.01116191 15.22924305 -0.00000121 -0.00000439 0.00000113 V 7.57693781 1.52670344 16.63375478 -0.00000090 -0.00000422 0.00000195 V 6.06139189 0.01115272 18.20617437 -0.00000056 -0.00000530 0.00000041 V 7.57693485 1.52668925 19.70595581 0.00000063 -0.00000306 0.00000095 V 6.06138899 0.01113427 21.22611019 0.00000048 -0.00000618 0.00000219 V 7.57693222 1.52666479 22.74006454 0.00000209 -0.00000174 0.00000022 V 6.06138742 0.01110448 24.25616631 0.00000179 -0.00000559 0.00000042 V 7.57693237 1.52662980 25.77152873 0.00000274 -0.00000087 0.00000216 V 6.06138976 0.01106485 27.28713474 0.00000276 -0.00000327 0.00000030 V 7.57693749 1.52658672 28.80265830 0.00000240 -0.00000035 0.00000045 V 6.06139765 0.01101893 30.31821713 0.00000271 -0.00000017 0.00000079 V 7.57694819 1.52653959 31.83374092 0.00000119 0.00000010 -0.00000094 V 6.06141064 0.01097123 33.34934656 0.00000151 0.00000269 0.00000108 V 7.57696291 1.52649297 34.86470954 -0.00000032 0.00000120 -0.00000166 V 6.06142629 0.01092656 36.38081141 -0.00000034 0.00000500 -0.00000171 V 7.57697846 1.52645177 37.89476543 -0.00000177 0.00000353 0.00000007 V 6.06144098 0.01088995 39.41492030 -0.00000219 0.00000684 -0.00000225 V 7.57699103 1.52642140 40.91470178 -0.00000300 0.00000650 -0.00000191 V 6.06145168 0.01086506 42.48712129 -0.00000354 0.00000824 -0.00000145 V 7.57699860 1.52640389 43.89163329 -0.00000380 0.00000861 -0.00000207 V 6.06139405 3.04225080 15.22924305 -0.00000112 -0.00000438 0.00000141 V 7.57693779 4.55779242 16.63375481 -0.00000085 -0.00000472 0.00000172 V 6.06139189 3.04224162 18.20617428 -0.00000061 -0.00000527 0.00000118 V 7.57693485 4.55777848 19.70595583 0.00000061 -0.00000594 0.00000050 V 6.06138899 3.04222321 21.22611011 0.00000046 -0.00000632 0.00000291 V 7.57693222 4.55775418 22.74006457 0.00000209 -0.00000616 -0.00000007 V 6.06138740 3.04219346 24.25616630 0.00000184 -0.00000616 0.00000033 V 7.57693236 4.55771909 25.77152872 0.00000277 -0.00000457 0.00000224 V 6.06138975 3.04215390 27.28713482 0.00000282 -0.00000453 -0.00000054 V 7.57693750 4.55767577 28.80265828 0.00000237 -0.00000169 0.00000073 V 6.06139765 3.04210804 30.31821725 0.00000269 -0.00000202 -0.00000026 V 7.57694820 4.55762840 31.83374089 0.00000119 0.00000129 -0.00000060 V 6.06141067 3.04206037 33.34934663 0.00000144 0.00000066 0.00000045 V 7.57696291 4.55758162 34.86470953 -0.00000031 0.00000387 -0.00000145 V 6.06142630 3.04201565 36.38081140 -0.00000036 0.00000335 -0.00000168 V 7.57697846 4.55754043 37.89476544 -0.00000179 0.00000596 0.00000011 V 6.06144096 3.04197896 39.41492027 -0.00000212 0.00000594 -0.00000184 V 7.57699100 4.55751020 40.91470180 -0.00000295 0.00000746 -0.00000196 V 6.06145167 3.04195399 42.48712126 -0.00000351 0.00000810 -0.00000119 V 7.57699854 4.55749282 43.89163329 -0.00000375 0.00000864 -0.00000208 V 6.06139410 6.07333976 15.22924310 -0.00000119 -0.00000435 0.00000124 V 7.57693784 7.58888139 16.63375475 -0.00000090 -0.00000478 0.00000227 V 6.06139190 6.07333041 18.20617428 -0.00000057 -0.00000388 0.00000088 V 7.57693486 7.58886738 19.70595573 0.00000062 -0.00000590 0.00000145 V 6.06138900 6.07331172 21.22611012 0.00000045 -0.00000245 0.00000267 V 7.57693223 7.58884312 22.74006454 0.00000207 -0.00000647 0.00000026 V 6.06138740 6.07328186 24.25616628 0.00000182 -0.00000123 0.00000059 V 7.57693237 7.58880810 25.77152879 0.00000275 -0.00000549 0.00000164 V 6.06138976 6.07324239 27.28713475 0.00000277 -0.00000049 0.00000012 V 7.57693750 7.58876486 28.80265838 0.00000236 -0.00000330 -0.00000026 V 6.06139766 6.07319677 30.31821716 0.00000266 -0.00000017 0.00000042 V 7.57694819 7.58871752 31.83374097 0.00000121 -0.00000069 -0.00000145 V 6.06141065 6.07314932 33.34934661 0.00000150 0.00000045 0.00000072 V 7.57696290 7.58867073 34.86470956 -0.00000029 0.00000199 -0.00000176 V 6.06142630 6.07310470 36.38081144 -0.00000035 0.00000219 -0.00000193 V 7.57697846 7.58862948 37.89476541 -0.00000180 0.00000468 0.00000040 V 6.06144096 6.07306797 39.41492033 -0.00000214 0.00000506 -0.00000233 V 7.57699101 7.58859917 40.91470176 -0.00000297 0.00000702 -0.00000159 V 6.06145163 6.07304294 42.48712129 -0.00000344 0.00000794 -0.00000146 V 7.57699854 7.58858172 43.89163330 -0.00000375 0.00000864 -0.00000196