64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-84.04521811405405 stress="-0.0004530158437017851 -5.706937082728714e-05 0.00018385345482503627 -5.706937082728714e-05 -6.0085135488170215e-05 3.550937273940023e-05 0.00018385345482503627 3.550937273940023e-05 -4.001847832921969e-05" free_energy=-84.04521811405405 pbc="F F F" C 35.54752698 35.06709854 35.04200627 -2.10927120 -1.29785141 -1.11107969 Si 36.76250834 35.85537431 35.95644875 9.23152915 -4.46780520 9.16947073 C 37.79032447 37.13850661 34.71239386 1.94093860 3.29438790 6.29859470 C 38.90541676 38.84396086 35.93971014 -15.08268203 -11.45231107 2.53930577 C 37.69394675 34.62391336 37.68130061 -5.65873438 7.66577152 -10.48317627 C 39.62405921 35.81556488 38.81702420 1.49193236 4.75045470 -4.11160679 Si 35.10220446 37.80797572 37.16409549 1.69040809 -0.02365391 2.55305353 Si 36.35952691 38.07185382 39.02958696 -5.90545294 12.37756090 -22.42727374 Si 39.80767123 34.58678389 34.60876040 0.00000000 0.00000000 0.00000000 C 41.49647027 35.82141658 36.24871990 1.61721958 -0.91199353 1.02062392 Si 42.58467563 38.11684205 35.20403068 -45.34018009 -35.09682800 -36.81079707 Si 43.47950277 38.79901786 35.91288990 48.13507771 32.91097898 31.94110039 C 42.77019812 35.10312726 37.05256691 -1.61721958 0.91199353 -1.02062392 Si 44.15330392 36.27954687 39.12423742 0.00000000 0.00000000 0.00000000 C 40.44756909 37.11446628 38.16588636 -1.66540386 0.74954415 0.71487391 Si 40.87434930 39.09793362 38.64599262 -19.70296374 -10.81522207 13.55101761 Si 35.00188046 39.88416230 34.78711455 0.00000000 0.00000000 0.00000000 C 36.56049379 41.61571012 36.08946124 -3.39305038 1.83843218 1.41502387 C 37.19013434 42.71183401 35.18226322 4.44454379 3.08761351 3.37675860 Si 38.61976235 43.91252310 36.37272667 -1.61428706 -4.55777613 -0.59793682 C 37.37464005 39.34404578 37.45424832 -0.29421886 -5.13853143 1.89054910 C 39.53091098 41.01240660 38.62297171 3.31170241 -3.90830074 5.06369118 Si 34.98827530 42.44583487 37.05914603 2.61334060 -1.81166954 -1.45496563 Si 35.91073907 43.66172819 39.51018669 -15.16407559 5.44329727 -2.59032311 Si 39.94904544 39.81703579 35.36600170 -20.76822021 -5.87114779 -19.56090578 Si 41.19228285 40.38493310 36.04327644 29.11479501 13.25814421 14.31616970 C 42.43234426 42.56566741 34.65708401 -0.56446705 -0.80148581 -0.77007085 Si 43.21243466 43.67331645 35.72131775 0.56446705 0.80148581 0.77007085 Si 42.23873431 39.56987063 37.81577595 17.70338511 10.80913222 -8.64163540 C 43.43572903 40.72482216 38.33437092 1.66852256 0.80726226 0.59088624 C 39.84214176 43.12310418 37.97224100 -0.33592840 -2.66529150 0.26285443 C 41.71543266 43.74599449 38.95541988 -37.92937254 39.99675491 -22.55179296 Si 35.07942042 34.96708348 40.19819519 7.20682710 7.36566513 6.08016164 C 36.51263695 36.40185381 41.34933587 -13.54097655 -18.68395203 5.01257976 Si 37.12299910 37.32618226 40.36288335 13.03435807 1.60348044 2.45538159 C 38.82023254 38.50522559 41.65429937 20.67960661 -23.31777505 -6.89375073 Si 37.62850001 35.47624004 42.36070938 6.92537997 5.90605348 8.32477460 C 38.98253505 36.68643593 43.75851983 -6.21471597 -6.55748446 -7.75190988 Si 34.95938693 38.16395969 43.25783842 0.36343538 0.55522914 0.20148500 C 35.89722699 39.59672094 43.77776773 -0.36343538 -0.55522914 -0.20148500 C 39.51002122 34.86834179 39.76912203 -0.50603966 -3.39905037 3.32156247 Si 41.38205422 36.40668068 40.84679951 2.54899827 -9.67532197 11.96494454 C 42.08347222 37.66749177 39.88101139 -1.70982960 3.54901145 -2.03403787 C 44.01435192 39.03286023 41.28668467 -5.24093185 1.90165072 6.11465086 Si 41.82208007 34.98354112 42.66348981 -2.72710467 8.61235637 -11.03187100 Si 43.63705157 36.89520942 43.78369539 0.00000000 0.00000000 0.00000000 C 39.78815934 37.34080710 42.53151438 -2.01648878 1.36470507 -0.31898547 Si 41.71070628 39.00238673 43.58193849 -53.53710941 -36.84127695 43.29634012 Si 35.47970949 40.09488477 39.20256336 0.69748569 2.44411271 2.22418853 Si 36.58988109 41.30114769 41.05504928 0.49270951 2.03228314 -4.67971266 C 37.29936967 43.17461596 39.70946531 15.30467493 -9.50233871 7.87252140 C 38.51825051 42.94661427 41.28963237 0.48165814 -0.01351236 -0.73473723 Si 37.96435681 39.50374871 42.10761187 -27.32382487 22.31360512 18.50040397 C 39.34228347 41.34272272 43.75804317 0.52894719 1.71644025 -1.61239821 Si 34.79501545 42.36006921 42.73310293 7.80355600 6.79204415 5.19560425 Si 36.33041964 43.69645137 43.75537438 -7.80355600 -6.79204415 -5.19560425 Si 39.54593287 39.49923280 40.37832058 7.02786828 7.18879484 -15.08698889 Si 41.66221134 40.83414589 41.53227015 1.94149507 -0.95135917 2.60935749 Si 42.44355118 42.85520143 39.39231143 37.21863508 -40.20651924 24.79497403 C 43.52872789 43.53614412 41.47526507 -1.82140153 -1.22419125 -3.55404264 C 42.52646854 39.54220907 42.94758804 57.05993989 38.22903955 -50.65786640 C 43.05627783 41.68980080 43.90393105 -2.43628640 0.09600536 -2.07702191 C 39.85593507 42.61714694 42.56189841 -1.30682089 -1.39449231 0.42530042 C 41.46658511 42.83916577 42.97679730 0.85061228 -2.43887565 0.09432496