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=1339686.3673978099 stress="-57.41291985425466 -5.597737385221983 14.277280826318425 -5.597737385221983 -82.11930872332739 -40.04779889721884 14.277280826318425 -40.04779889721884 -79.17301085008059" free_energy=1339686.3673978099 pbc="F F F"
Pr      21.24205982      21.27190336      20.97740421 -302282.31413775 -523257.96855310 -213024.21787484
Pr      22.21513973      22.57099359      21.15120488  434738.04624315  402274.70889024  -71277.33093024
Pr      22.36258580      21.16562776      22.67618939   65708.37037205  -80944.52755637   15089.35840864
Pr      20.90383814      22.33247267      22.37033750 -203429.08807964  122438.62906296  206952.39631676
Pr      24.05381505      21.27456151      20.81800363  -19457.21899921   -9156.89091699  -34111.71552998
Pr      25.64496832      22.79894381      20.91541156   43078.67773374  -87845.22234477 -133194.11361026
Pr      25.22794993      20.95581796      22.42765502   31236.08298860  -22844.46995526   18345.30565538
Pr      23.91604091      22.63483668      22.68576235  -77694.14670674 -568994.94222178 -421224.81447499
Pr      20.99834527      24.08627712      20.83471295  -78628.27320621  -31356.71771915  -73182.82731171
Pr      22.42429529      25.37231876      21.23058592  269149.26990648  258282.77070765 -384453.27216586
Pr      22.29982289      24.07704577      22.52212120   37848.03372019 -205417.79470869   44648.68350888
Pr      21.14623533      25.44356960      22.21408448 -576457.54378921  169704.61801535  380732.26589660
Pr      23.75021525      24.42581831      20.74068489  202645.65730249 -186206.48028138 -106317.46994718
Pr      25.55767115      25.20764447      20.90498875   45100.13323144   43886.47961572  -21124.71194608
Pr      25.29585265      23.81780793      22.34206704   93227.74854212  130153.48549799   81065.34205534
Pr      23.66777861      25.56845113      22.81636690  280460.78130039  134938.88578466 -240190.11326446
Pr      20.94156988      21.04905587      24.19820689  -48980.23878926  -37181.47855914  -24446.33605208
Pr      22.35658146      22.73918191      24.18312783 -246431.55971552 -573055.59059891 -519722.57470528
Pr      22.61196843      20.75683540      25.30464234 -455491.14741710  -93551.55931503  472285.44382393
Pr      20.97872520      22.38532518      25.66951940  -22746.15086251   19579.68226681   53704.88699285
Pr      23.77374276      20.93761745      24.21204220  465267.03332869   16800.00706654 -477129.29404494
Pr      25.64258002      22.43324168      24.17877257   72793.83395615   -9446.21298654  -79300.30255946
Pr      25.23745908      21.16616912      25.68383427  294170.95679090 -355499.25592286  113942.79431592
Pr      24.17816561      22.40911718      25.41670518 -293487.41537353  329534.61564243   19820.42704147
Pr      20.87812289      24.23857855      24.27900398 -202628.03540406 -1757767.03488720 -1703119.13775042
Pr      22.47048314      25.29027095      23.96469869 -211468.92679189   75382.20937247  232167.44933964
Pr      22.82037844      23.83666786      25.22157678  126884.82655362  453004.78851506  604860.54942263
Pr      20.95292953      25.27291923      25.29516810   97179.31837144 1747904.60734814 1736824.19704085
Pr      23.96266872      23.86495552      23.71078850   79076.13584734  484553.75390252  440104.54572703
Pr      25.69328559      25.44186297      23.90307431   11547.66745113   18830.98161437   -5125.21461128
Pr      25.59996415      23.97678382      25.44684220   17691.96896468   28773.53849406   38830.71694114
Pr      23.74902307      25.37477993      25.57530456   71377.51666803  106482.38473021   47569.08429199