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=58123.027048516036 stress="-0.6272886090014632 -0.05406518753713906 -0.1464020517190268 -0.05406518753713906 -0.8014975339234478 0.11661929798200865 -0.1464020517190268 0.11661929798200865 -0.6100865037346256" free_energy=58123.027048516036 pbc="F F F" Kr 34.83451651 35.10535810 35.39397009 -3364.44240812 -1487.42528646 -1011.29510966 Kr 36.33268130 35.76741069 35.84410269 3218.75128509 1431.93113433 887.69747853 Kr 36.64919348 37.61204406 34.82226869 14.65711861 151.53838644 -111.92557585 Kr 37.98134164 39.07917266 36.28232034 308.99535930 -385.63661408 -996.08822027 Kr 37.24217325 34.85297404 37.47687593 -3430.39324455 -3083.90043357 -2314.43543685 Kr 38.35961812 35.78492223 38.26964376 3403.28500826 2953.26945086 2375.73303393 Kr 35.05236494 37.39055695 37.67204097 -15.75638307 0.30921325 -10.54453492 Kr 36.55604684 39.07636534 38.99475015 -40023.57576171 73031.47909882 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10196.88495010 -16513.03720407 8610.20292347 Kr 43.86711865 36.22502115 43.65084414 6.10226344 3.95778024 6.49774611 Kr 40.22865493 37.14039452 42.44921816 -235.31038986 -246.80344136 -129.19293907 Kr 40.58029149 38.47117941 43.82796402 122.05698298 432.67828076 458.32863086 Kr 35.12004424 40.00042707 40.00682194 -418.45593326 -39.14127604 123.77600886 Kr 35.46449589 41.83541913 40.87433342 2839.54268486 -4057.62223774 -5124.63778921 Kr 37.49308810 42.33652103 39.54899916 -93.64807345 -149.44681336 -239.37880840 Kr 38.44716409 43.23465428 41.12953737 126.08438049 154.61755823 235.36317183 Kr 36.96786264 39.88429939 42.61156932 51586.88323660 59290.80739539 -47005.93441282 Kr 39.41085560 41.10936237 43.54917825 -231.87214941 -231.34946461 336.34408229 Kr 34.84911262 42.76766083 42.04035502 -2827.23824229 4248.60047017 5317.54627634 Kr 36.41851943 43.83337009 43.68242222 14.03115378 9.80666861 15.34165282 Kr 39.60675953 39.24865510 40.64950065 4183.99182502 3778.62169077 -5949.24295622 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