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=859.024055443321 stress="-0.015689986640475904 0.00013690595234538858 -0.0007124264853052914 0.00013690595234538858 -0.014713885722952796 -0.0004708533983413677 -0.0007124264853052914 -0.0004708533983413677 -0.015732313816563304" free_energy=859.024055443321 pbc="F F F" In 20.85540510 21.11115480 21.11044915 -20.66162174 -26.57264354 -30.39472881 In 22.70960170 22.34512630 20.83833517 -6.00695139 5.66113111 -28.72386606 In 22.31428531 20.83509776 22.36371066 -1.62064071 -29.91411852 1.14837990 In 20.77812781 22.48254321 22.23417995 -26.55960447 11.86773613 11.66353529 In 23.87679405 20.95894820 21.20259391 8.88580739 -32.89781051 -20.86778630 In 25.56504129 21.96425659 20.86550211 22.75080720 1.08565266 -25.75489439 In 25.28802619 21.22277084 22.68584377 19.95858891 -64.10248341 -47.49871926 In 24.18362810 22.69581920 22.64685009 -20.86095629 -24.77897779 -6.68479331 In 21.26959405 23.87804706 20.85402479 -16.26457580 1.65731138 -29.54501205 In 22.70996341 25.49207130 21.15300231 -13.61672765 29.10201311 -39.55779370 In 22.53848316 23.95774659 22.71726984 -22.10354578 -11.55780538 -13.84621657 In 20.95789336 25.38825682 22.04332575 -27.44300067 22.94934837 3.22239922 In 24.19178619 24.17895518 21.29140871 -14.90941104 -13.05605505 -77.94695143 In 25.61455359 25.53253581 21.14904689 21.62760384 22.12166370 -17.83894015 In 25.28091226 23.98699481 22.46603997 78.11142344 4.41125415 10.80746093 In 23.80598025 25.32157598 22.51361598 12.12843348 61.29062556 10.77314541 In 20.85198705 20.97567541 23.92466586 -32.26371108 -20.69943745 -0.15434800 In 22.49580977 22.02492495 23.97644859 -1.35463021 11.01475727 -7.34740711 In 22.26128685 20.84140700 25.31668137 -3.65603359 -38.16351472 31.14452677 In 20.91986395 22.44466750 25.59073906 -21.52705628 -0.42704222 19.31436682 In 24.27219963 20.93381326 24.13132919 -9.23735846 -33.48601690 17.92174637 In 25.75978669 22.22592512 23.78504734 50.82527914 35.18006848 44.06016046 In 25.68365717 21.20288723 25.58343331 15.65746121 -10.44521863 21.72871821 In 23.49928362 22.34894620 25.72094491 10.78443943 1.90703282 29.49000407 In 21.23171545 24.17983874 24.10370736 -44.63833087 -8.62599460 -15.24680372 In 22.71219253 25.42485375 24.13991858 -15.12904345 52.77917929 -6.90390809 In 22.28220450 24.28278197 25.56210000 31.88838227 -48.79833305 43.98587295 In 21.13362859 25.32702941 25.57034430 -61.56520222 60.40111194 25.33640598 In 24.03305812 24.15643619 23.91561068 5.93006809 -13.30527611 21.87103569 In 25.63661615 25.40480033 23.75512869 28.34216110 30.94295161 6.71257529 In 25.29869006 24.11041876 25.26735611 34.62337106 -8.54336487 30.26594853 In 23.83533445 25.24148635 25.58611608 17.90457514 33.00225517 38.86588709