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=514124.1577544043 stress="-22.51309608238135 0.4373285917404648 -1.600349312562596 0.4373285917404648 -34.90982138323423 9.592365716775141 -1.600349312562596 9.592365716775141 -26.95076200673246" free_energy=514124.1577544043 pbc="F F F"
Lv      20.79251303      20.75393470      20.86689130   -1185.93648255   -2340.50229704   -2411.02840020
Lv      22.58568828      22.48605763      21.09250150    -136.43780245   -8502.45158308  -19846.26236585
Lv      22.52993384      21.07614250      22.55330466   59254.92764383  -26409.45252371  -22687.67554231
Lv      21.17416523      22.29045960      22.34875358  -29464.86204046   82519.97761923  -66809.72693702
Lv      23.97226848      20.92854825      21.09748592  -13907.32720997  -19656.93048329   -2737.24860931
Lv      25.34952490      22.11799774      20.80159842   16971.58990844   21070.73899074  -16131.31600091
Lv      25.68723574      20.98712020      22.33273431   15294.36534338   -9170.96085926     -56.96843632
Lv      24.41386713      22.92641352      22.65393666 -204436.65671338 -296006.42852642  -30011.77068100
Lv      21.01010074      23.96315632      21.04521450  -11621.41581128    1501.24713560   -8942.33776693
Lv      22.78263439      25.22848309      21.29829526 -186456.79739435  522553.99751803 -819753.45064376
Lv      22.55366160      24.21613977      22.25908653 -218756.58585058 -552578.55324027  576848.94563816
Lv      20.83189778      25.75643287      22.53785273   -3904.42683202    3486.92088897   -2574.40683031
Lv      23.84012526      23.89356291      21.26371559  104408.71650382  -48262.08132387  -98172.62993465
Lv      25.76329134      25.66255812      20.97724045     988.32504572    2274.44734726   -2066.00767776
Lv      25.44040532      23.99662744      22.33119514  222775.95414707  212774.59218245  -66405.39940963
Lv      23.75185405      25.50307652      22.38548415  296541.10201150  117823.01683547  310864.83889144
Lv      21.14801849      21.19845999      23.58204579  -47997.24434539  -67040.93929583  108393.86759713
Lv      22.90705886      22.74325194      24.09424354   20097.23400390 -138779.48872409 -248844.24421222
Lv      22.29278562      21.28244157      25.62217428  290753.72629410 -551102.78494416  135365.28293688
Lv      21.50126610      22.44527556      25.33892165 -397343.77000397  450663.55935322  -97841.69597595
Lv      24.50353430      21.05724001      23.83029545  -63987.40408379  -69151.28484893  -35715.29652904
Lv      25.46173109      22.36275787      24.28374084  109770.71383165   91034.10287377  -70129.46469401
Lv      25.31092366      21.26779074      25.44956796   15973.66379976 -105597.12053983  130151.63250778
Lv      23.69957384      22.21501761      25.41999615   95457.15337885    7218.18762099   93789.82856253
Lv      20.78942827      23.98904908      24.01749173  -31402.76414609  -16981.72481665  -14014.83573741
Lv      22.10660658      25.27623364      24.15696968   19536.51328427   74951.46296441  -45471.90001510
Lv      22.39658192      23.85693345      25.03515268  -20492.01605764  171649.24378736  179583.35470849
Lv      20.79121046      25.46208856      25.46517802  -15352.37638509    6689.24711474   18439.71702234
Lv      24.53503682      23.74606454      24.04170364  -32537.19245188  134450.38175013  101183.00013698
Lv      25.40823854      25.64982667      23.86134871    4575.77678822    5649.58091316     103.54278949
Lv      25.56586846      23.96936811      25.66966979    8688.01626093    2419.26218601   13155.48916188
Lv      24.01141702      25.50394065      25.56383689   -2104.56463457    2850.73692489    2744.16644656