180 Lattice="9.093266732990742 0.0 0.0 0.0 9.093266732990742 0.0 0.0 0.0 60.62177821993828" Properties=species:S:1:pos:R:3:forces:R:3 energy=-925.7214599984068 stress="0.006567174818676429 -1.5790492318937157e-12 2.8131463329070525e-07 -1.5790492318937157e-12 0.006567174823692356 -1.4165048701952333e-06 2.8131463329070525e-07 -1.4165048701952333e-06 3.615780889867482e-07" free_energy=-925.7214599984068 pbc="T T F" V -0.00078374 0.01116187 15.22924376 -0.00000122 -0.00000437 0.00000142 V 1.51475985 1.52670337 16.63375498 -0.00000088 -0.00000418 0.00000184 V -0.00078593 0.01115269 18.20617406 -0.00000082 -0.00000528 0.00000062 V 1.51475709 1.52668924 19.70595574 -0.00000014 -0.00000314 0.00000072 V -0.00078877 0.01113425 21.22611012 -0.00000017 -0.00000620 0.00000241 V 1.51475449 1.52666477 22.74006444 0.00000112 -0.00000179 0.00000013 V -0.00079034 0.01110448 24.25616625 0.00000096 -0.00000564 0.00000023 V 1.51475459 1.52662977 25.77152862 0.00000233 -0.00000088 0.00000246 V -0.00078799 0.01106486 27.28713471 0.00000204 -0.00000330 -0.00000016 V 1.51475961 1.52658673 28.80265820 0.00000287 -0.00000046 0.00000074 V -0.00078015 0.01101893 30.31821708 0.00000239 -0.00000019 0.00000057 V 1.51477025 1.52653962 31.83374084 0.00000219 -0.00000007 -0.00000076 V -0.00076719 0.01097124 33.34934650 0.00000166 0.00000269 0.00000104 V 1.51478498 1.52649300 34.86470947 0.00000058 0.00000106 -0.00000160 V -0.00075158 0.01092658 36.38081136 0.00000013 0.00000501 -0.00000160 V 1.51480057 1.52645179 37.89476539 -0.00000129 0.00000346 -0.00000013 V -0.00073690 0.01088998 39.41492025 -0.00000178 0.00000681 -0.00000211 V 1.51481317 1.52642141 40.91470207 -0.00000286 0.00000652 -0.00000216 V -0.00072626 0.01086515 42.48712095 -0.00000335 0.00000815 -0.00000139 V 1.51482075 1.52640396 43.89163219 -0.00000379 0.00000853 -0.00000205 V -0.00078386 3.04225075 15.22924378 -0.00000108 -0.00000435 0.00000166 V 1.51475985 4.55779232 16.63375502 -0.00000088 -0.00000463 0.00000156 V -0.00078596 3.04224160 18.20617398 -0.00000075 -0.00000526 0.00000136 V 1.51475709 4.55777844 19.70595579 -0.00000014 -0.00000592 0.00000021 V -0.00078879 3.04222318 21.22611006 -0.00000014 -0.00000627 0.00000309 V 1.51475449 4.55775415 22.74006448 0.00000113 -0.00000619 -0.00000019 V -0.00079033 3.04219343 24.25616626 0.00000094 -0.00000605 0.00000009 V 1.51475457 4.55771907 25.77152861 0.00000237 -0.00000461 0.00000254 V -0.00078799 3.04215387 27.28713480 0.00000201 -0.00000438 -0.00000105 V 1.51475962 4.55767577 28.80265817 0.00000285 -0.00000175 0.00000106 V -0.00078015 3.04210802 30.31821720 0.00000239 -0.00000187 -0.00000051 V 1.51477026 4.55762839 31.83374080 0.00000219 0.00000128 -0.00000038 V -0.00076720 3.04206036 33.34934657 0.00000168 0.00000077 0.00000042 V 1.51478498 4.55758161 34.86470944 0.00000058 0.00000389 -0.00000134 V -0.00075158 3.04201565 36.38081134 0.00000013 0.00000345 -0.00000153 V 1.51480058 4.55754043 37.89476538 -0.00000132 0.00000597 -0.00000003 V -0.00073689 3.04197898 39.41492020 -0.00000179 0.00000600 -0.00000163 V 1.51481315 4.55751023 40.91470208 -0.00000282 0.00000744 -0.00000216 V -0.00072624 3.04195406 42.48712091 -0.00000339 0.00000804 -0.00000109 V 1.51482070 4.55749287 43.89163214 -0.00000376 0.00000859 -0.00000198 V -0.00078376 6.07333971 15.22924384 -0.00000120 -0.00000434 0.00000145 V 1.51475991 7.58888128 16.63375496 -0.00000096 -0.00000467 0.00000210 V -0.00078593 6.07333037 18.20617397 -0.00000081 -0.00000387 0.00000105 V 1.51475712 7.58886733 19.70595568 -0.00000020 -0.00000586 0.00000117 V -0.00078877 6.07331169 21.22611008 -0.00000018 -0.00000248 0.00000280 V 1.51475449 7.58884308 22.74006445 0.00000112 -0.00000639 0.00000013 V -0.00079035 6.07328185 24.25616624 0.00000098 -0.00000131 0.00000030 V 1.51475456 7.58880806 25.77152868 0.00000242 -0.00000537 0.00000191 V -0.00078800 6.07324238 27.28713474 0.00000205 -0.00000059 -0.00000043 V 1.51475961 7.58876483 28.80265827 0.00000288 -0.00000318 0.00000006 V -0.00078014 6.07319677 30.31821713 0.00000237 -0.00000029 0.00000014 V 1.51477026 7.58871749 31.83374088 0.00000216 -0.00000055 -0.00000122 V -0.00076720 6.07314933 33.34934655 0.00000169 0.00000032 0.00000067 V 1.51478498 7.58867070 34.86470947 0.00000056 0.00000213 -0.00000164 V -0.00075158 6.07310471 36.38081138 0.00000011 0.00000210 -0.00000178 V 1.51480058 7.58862947 37.89476535 -0.00000132 0.00000474 0.00000026 V -0.00073690 6.07306799 39.41492025 -0.00000178 0.00000499 -0.00000210 V 1.51481314 7.58859919 40.91470203 -0.00000280 0.00000702 -0.00000178 V -0.00072631 6.07304301 42.48712093 -0.00000328 0.00000786 -0.00000134 V 1.51482069 7.58858180 43.89163215 -0.00000374 0.00000853 -0.00000185 V 3.03030507 0.01116182 15.22924388 -0.00000105 -0.00000432 0.00000126 V 4.54584883 1.52670338 16.63375497 -0.00000104 -0.00000420 0.00000201 V 3.03030290 0.01115269 18.20617400 -0.00000016 -0.00000531 0.00000066 V 4.54584604 1.52668924 19.70595568 -0.00000056 -0.00000315 0.00000103 V 3.03029998 0.01113426 21.22611010 0.00000139 -0.00000625 0.00000245 V 4.54584348 1.52666477 22.74006445 0.00000035 -0.00000178 0.00000007 V 3.03029841 0.01110446 24.25616624 0.00000253 -0.00000559 0.00000036 V 4.54584357 1.52662977 25.77152867 0.00000155 -0.00000088 0.00000203 V 3.03030085 0.01106484 27.28713471 0.00000270 -0.00000326 -0.00000007 V 4.54584858 1.52658673 28.80265826 0.00000236 -0.00000047 0.00000030 V 3.03030882 0.01101894 30.31821709 0.00000188 -0.00000021 0.00000053 V 4.54585917 1.52653962 31.83374086 0.00000216 -0.00000007 -0.00000095 V 3.03032183 0.01097125 33.34934652 0.00000048 0.00000266 0.00000090 V 4.54587384 1.52649300 34.86470946 0.00000098 0.00000105 -0.00000151 V 3.03033745 0.01092658 36.38081138 -0.00000107 0.00000499 -0.00000173 V 4.54588942 1.52645178 37.89476536 -0.00000082 0.00000346 0.00000009 V 3.03035208 0.01088997 39.41492027 -0.00000246 0.00000685 -0.00000215 V 4.54590208 1.52642138 40.91470203 -0.00000269 0.00000656 -0.00000198 V 3.03036274 0.01086511 42.48712093 -0.00000356 0.00000823 -0.00000135 V 4.54590968 1.52640386 43.89163224 -0.00000378 0.00000865 -0.00000203 V 3.03030503 3.04225069 15.22924390 -0.00000101 -0.00000428 0.00000152 V 4.54584883 4.55779233 16.63375502 -0.00000103 -0.00000463 0.00000174 V 3.03030288 3.04224158 18.20617391 -0.00000014 -0.00000525 0.00000141 V 4.54584605 4.55777844 19.70595571 -0.00000060 -0.00000591 0.00000057 V 3.03029997 3.04222318 21.22611003 0.00000141 -0.00000628 0.00000315 V 4.54584348 4.55775415 22.74006447 0.00000037 -0.00000619 -0.00000019 V 3.03029841 3.04219341 24.25616623 0.00000254 -0.00000602 0.00000024 V 4.54584356 4.55771907 25.77152863 0.00000160 -0.00000462 0.00000219 V 3.03030085 3.04215387 27.28713479 0.00000269 -0.00000437 -0.00000094 V 4.54584859 4.55767577 28.80265820 0.00000232 -0.00000176 0.00000069 V 3.03030882 3.04210803 30.31821721 0.00000187 -0.00000190 -0.00000053 V 4.54585918 4.55762839 31.83374081 0.00000211 0.00000130 -0.00000053 V 3.03032184 3.04206036 33.34934659 0.00000046 0.00000077 0.00000028 V 4.54587385 4.55758161 34.86470943 0.00000096 0.00000390 -0.00000126 V 3.03033745 3.04201565 36.38081137 -0.00000107 0.00000345 -0.00000167 V 4.54588942 4.55754043 37.89476536 -0.00000080 0.00000596 0.00000014 V 3.03035207 3.04197896 39.41492023 -0.00000245 0.00000602 -0.00000168 V 4.54590204 4.55751020 40.91470205 -0.00000260 0.00000747 -0.00000204 V 3.03036275 3.04195401 42.48712090 -0.00000357 0.00000812 -0.00000108 V 4.54590969 4.55749277 43.89163221 -0.00000384 0.00000869 -0.00000202 V 3.03030513 6.07333963 15.22924396 -0.00000115 -0.00000426 0.00000130 V 4.54584885 7.58888129 16.63375496 -0.00000102 -0.00000468 0.00000227 V 3.03030290 6.07333033 18.20617394 -0.00000017 -0.00000380 0.00000100 V 4.54584605 7.58886734 19.70595562 -0.00000056 -0.00000588 0.00000149 V 3.03029999 6.07331169 21.22611007 0.00000137 -0.00000247 0.00000282 V 4.54584349 7.58884308 22.74006445 0.00000034 -0.00000638 0.00000010 V 3.03029840 6.07328185 24.25616622 0.00000258 -0.00000131 0.00000047 V 4.54584357 7.58880806 25.77152872 0.00000155 -0.00000535 0.00000154 V 3.03030084 6.07324239 27.28713471 0.00000272 -0.00000063 -0.00000025 V 4.54584859 7.58876483 28.80265831 0.00000231 -0.00000318 -0.00000034 V 3.03030883 6.07319677 30.31821711 0.00000183 -0.00000031 0.00000019 V 4.54585917 7.58871749 31.83374089 0.00000216 -0.00000055 -0.00000139 V 3.03032184 6.07314931 33.34934654 0.00000046 0.00000038 0.00000061 V 4.54587383 7.58867070 34.86470946 0.00000102 0.00000212 -0.00000155 V 3.03033746 6.07310470 36.38081139 -0.00000109 0.00000211 -0.00000185 V 4.54588943 7.58862947 37.89476532 -0.00000084 0.00000474 0.00000047 V 3.03035207 6.07306799 39.41492027 -0.00000244 0.00000498 -0.00000210 V 4.54590206 7.58859915 40.91470199 -0.00000265 0.00000707 -0.00000162 V 3.03036270 6.07304298 42.48712092 -0.00000346 0.00000789 -0.00000131 V 4.54590966 7.58858171 43.89163221 -0.00000379 0.00000863 -0.00000187 V 6.06139409 0.01116189 15.22924392 -0.00000121 -0.00000439 0.00000113 V 7.57693778 1.52670341 16.63375497 -0.00000090 -0.00000422 0.00000195 V 6.06139187 0.01115270 18.20617403 -0.00000057 -0.00000531 0.00000039 V 7.57693482 1.52668923 19.70595572 0.00000064 -0.00000308 0.00000093 V 6.06138897 0.01113425 21.22611013 0.00000047 -0.00000621 0.00000224 V 7.57693220 1.52666477 22.74006445 0.00000210 -0.00000179 0.00000015 V 6.06138741 0.01110447 24.25616623 0.00000177 -0.00000562 0.00000043 V 7.57693236 1.52662979 25.77152864 0.00000276 -0.00000096 0.00000221 V 6.06138976 0.01106485 27.28713467 0.00000274 -0.00000330 0.00000025 V 7.57693748 1.52658673 28.80265823 0.00000240 -0.00000047 0.00000044 V 6.06139764 0.01101893 30.31821705 0.00000269 -0.00000019 0.00000086 V 7.57694818 1.52653961 31.83374085 0.00000120 -0.00000003 -0.00000098 V 6.06141064 0.01097124 33.34934650 0.00000149 0.00000268 0.00000107 V 7.57696290 1.52649299 34.86470946 -0.00000033 0.00000109 -0.00000160 V 6.06142628 0.01092658 36.38081137 -0.00000036 0.00000500 -0.00000176 V 7.57697844 1.52645179 37.89476534 -0.00000178 0.00000346 0.00000008 V 6.06144097 0.01088997 39.41492025 -0.00000219 0.00000684 -0.00000225 V 7.57699101 1.52642142 40.91470199 -0.00000300 0.00000647 -0.00000191 V 6.06145166 0.01086508 42.48712096 -0.00000354 0.00000824 -0.00000146 V 7.57699857 1.52640391 43.89163228 -0.00000380 0.00000861 -0.00000206 V 6.06139402 3.04225078 15.22924392 -0.00000112 -0.00000438 0.00000140 V 7.57693776 4.55779238 16.63375500 -0.00000085 -0.00000473 0.00000173 V 6.06139187 3.04224159 18.20617394 -0.00000061 -0.00000525 0.00000116 V 7.57693482 4.55777846 19.70595575 0.00000062 -0.00000596 0.00000051 V 6.06138898 3.04222318 21.22611005 0.00000045 -0.00000626 0.00000295 V 7.57693220 4.55775416 22.74006447 0.00000210 -0.00000619 -0.00000011 V 6.06138739 3.04219343 24.25616623 0.00000182 -0.00000606 0.00000033 V 7.57693235 4.55771907 25.77152863 0.00000279 -0.00000460 0.00000231 V 6.06138974 3.04215388 27.28713475 0.00000279 -0.00000440 -0.00000061 V 7.57693749 4.55767576 28.80265820 0.00000238 -0.00000172 0.00000074 V 6.06139765 3.04210802 30.31821717 0.00000267 -0.00000188 -0.00000020 V 7.57694819 4.55762839 31.83374083 0.00000120 0.00000128 -0.00000065 V 6.06141066 3.04206035 33.34934657 0.00000142 0.00000079 0.00000045 V 7.57696289 4.55758162 34.86470945 -0.00000031 0.00000386 -0.00000141 V 6.06142629 3.04201565 36.38081136 -0.00000037 0.00000345 -0.00000170 V 7.57697844 4.55754043 37.89476535 -0.00000179 0.00000597 0.00000009 V 6.06144095 3.04197897 39.41492020 -0.00000213 0.00000599 -0.00000181 V 7.57699098 4.55751021 40.91470201 -0.00000295 0.00000746 -0.00000197 V 6.06145165 3.04195400 42.48712093 -0.00000351 0.00000811 -0.00000119 V 7.57699851 4.55749283 43.89163227 -0.00000375 0.00000863 -0.00000208 V 6.06139407 6.07333972 15.22924397 -0.00000119 -0.00000435 0.00000123 V 7.57693781 7.58888135 16.63375493 -0.00000089 -0.00000477 0.00000227 V 6.06139187 6.07333038 18.20617394 -0.00000058 -0.00000389 0.00000085 V 7.57693483 7.58886734 19.70595565 0.00000063 -0.00000586 0.00000145 V 6.06138898 6.07331169 21.22611007 0.00000044 -0.00000249 0.00000269 V 7.57693221 7.58884308 22.74006444 0.00000208 -0.00000638 0.00000020 V 6.06138739 6.07328184 24.25616620 0.00000180 -0.00000130 0.00000058 V 7.57693236 7.58880806 25.77152871 0.00000276 -0.00000538 0.00000169 V 6.06138975 6.07324238 27.28713468 0.00000275 -0.00000059 0.00000006 V 7.57693749 7.58876482 28.80265830 0.00000237 -0.00000316 -0.00000028 V 6.06139766 6.07319677 30.31821709 0.00000264 -0.00000029 0.00000048 V 7.57694818 7.58871749 31.83374091 0.00000121 -0.00000055 -0.00000151 V 6.06141064 6.07314932 33.34934654 0.00000148 0.00000033 0.00000072 V 7.57696289 7.58867071 34.86470948 -0.00000029 0.00000211 -0.00000171 V 6.06142629 6.07310470 36.38081140 -0.00000036 0.00000210 -0.00000195 V 7.57697845 7.58862947 37.89476532 -0.00000180 0.00000475 0.00000040 V 6.06144095 6.07306798 39.41492026 -0.00000215 0.00000501 -0.00000230 V 7.57699099 7.58859917 40.91470196 -0.00000296 0.00000704 -0.00000158 V 6.06145161 6.07304295 42.48712096 -0.00000344 0.00000793 -0.00000145 V 7.57699851 7.58858173 43.89163229 -0.00000375 0.00000864 -0.00000196