32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=3145588.2840629634 stress="-135.39670861081083 33.70544664052968 -25.629194920380346 33.70544664052968 -184.15331992773002 58.866273045552205 -25.629194920380346 58.866273045552205 -193.58550257282815" free_energy=3145588.2840629634 pbc="F F F" Th 20.95296961 21.14749439 21.27293065 -481147.91679906 -930416.26509796 -897604.95875537 Th 22.79868438 22.31568468 21.15895420 -1177988.61546215 486282.60655174 -1656631.07747107 Th 22.30585832 21.11097166 22.48772071 914626.48126500 -1081411.77761452 -122157.26846692 Th 21.29915636 22.40616732 22.24235915 -481875.49218413 1551821.18671327 709598.43601089 Th 24.11574673 21.19450305 20.94423746 267271.86013093 -447838.69162516 -381109.63815717 Th 25.76188978 22.54185259 21.15084415 73942.03267943 121301.59917906 -127928.52195362 Th 25.34839912 21.14378362 22.35601531 177774.15720996 -198751.27391497 231458.27815916 Th 23.73155336 22.23765900 22.42731767 1244616.68880658 229819.06398302 1422761.23295602 Th 21.12466603 23.96072273 21.17068799 -101684.39291217 -6892.90540112 -158129.81675805 Th 22.44168452 25.41417811 20.87600611 -159335.81180599 317052.09081063 -163389.15199635 Th 22.70622522 24.30732997 22.50602253 -1103588.89603700 -68288.59185163 -82368.09421498 Th 20.83182167 25.55190921 22.31077335 -52689.00720694 88072.27150337 63179.49348637 Th 23.74310597 24.20298425 21.18366600 662963.09100570 -266230.70648168 -609488.98480848 Th 25.54177858 25.49285737 20.84204084 24396.23893327 25827.13261459 -33205.74715505 Th 25.45539630 24.16021599 22.56507945 -318640.15062213 2533482.87420063 -2409913.59743489 Th 24.03879520 25.64169105 22.57066250 114626.69093485 338999.28828215 -60606.75504869 Th 21.20697352 21.11055696 23.77674825 -652420.93496914 -213362.57687046 330053.99573755 Th 22.73856152 22.32978072 23.99769897 85633.79951109 376677.87062388 -244787.89837505 Th 22.20086351 21.28262833 25.32723527 217649.66403293 -610430.84971127 620623.38361038 Th 21.18515672 22.64267186 24.99557404 -441158.70271029 -1737592.90201941 1865987.13182687 Th 23.80601412 20.75978231 24.29847015 -42590.01128929 -334919.95973493 -216742.55615491 Th 25.62459116 23.07676799 23.58068873 430489.52147699 -2593385.13824096 2398734.73266126 Th 25.35771357 21.12034280 25.26703619 583979.95254382 -361357.37673483 91111.73279179 Th 24.11326390 22.30553500 25.31217049 -258447.25515735 549671.80583302 229785.76164445 Th 21.14494338 23.81043773 24.02370077 -138193.59794814 2159105.23012740 -1888973.45759982 Th 22.41977709 25.69574138 24.20250507 -29412.67220115 161138.72133573 -133751.31413347 Th 22.23790294 24.13463011 25.78365427 570487.04382117 -453231.39947108 253368.13961456 Th 21.04243445 25.26868541 25.42910831 -652112.14635663 514586.81491098 -3829.44949087 Th 23.73196407 24.24067443 23.80277736 498895.13904018 -435411.49101702 501851.45434224 Th 25.51946053 25.55250331 24.26791905 300259.13970068 136345.58554712 -187283.22357235 Th 25.77782996 23.97931889 25.51078070 38284.02315051 -47549.28292786 78898.91076141 Th 24.02421979 25.25580267 25.20558755 -114609.92058154 196887.04649825 580488.82794413