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=58123.29619909512 stress="-0.627288696121381 -0.05406519069911768 -0.14640205595236236 -0.05406519069911768 -0.8014976148903435 0.11661929382702431 -0.14640205595236236 0.11661929382702431 -0.6100865830244985" free_energy=58123.29619909512 pbc="F F F" Kr 34.83451651 35.10535810 35.39397009 -3364.44279805 -1487.42566101 -1011.29548844 Kr 36.33268130 35.76741069 35.84410269 3218.75109572 1431.93095123 887.69731159 Kr 36.64919348 37.61204406 34.82226869 14.65700653 151.53830637 -111.92574825 Kr 37.98134164 39.07917266 36.28232034 308.99535930 -385.63661408 -996.08822027 Kr 37.24217325 34.85297404 37.47687593 -3430.39334450 -3083.90062201 -2314.43548358 Kr 38.35961812 35.78492223 38.26964376 3403.28495228 2953.26934942 2375.73298086 Kr 35.05236494 37.39055695 37.67204097 -15.75653432 0.30913773 -10.54460970 Kr 36.55604684 39.07636534 38.99475015 -40023.57576171 73031.47909882 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39.73932125 37.95902960 7413.34386074 5717.30656963 -7509.45103061 Kr 39.14193657 41.14159098 38.05157904 -162.26506992 -757.53896939 501.90850557 Kr 35.57718541 42.76939185 37.70660126 -32.92274018 -220.93251435 -732.81497984 Kr 35.46670815 43.56634079 39.42105497 -93.40232148 484.14534623 769.56972017 Kr 40.62134983 40.36716718 34.90225128 -74.52939583 -78.97987034 -135.50046323 Kr 41.55001050 41.34881552 36.57847405 -11987.24941062 10206.27876525 -9688.42886365 Kr 42.03909150 43.34588795 34.73563332 -30.11643713 -7.15498146 -40.18783483 Kr 43.55875820 43.93086425 36.45407384 32.10503317 13.03477902 35.27449373 Kr 42.52861623 40.52701693 37.37163078 11491.28198448 -10660.85367748 9032.81606907 Kr 43.53760724 41.38896908 38.68453127 1118.76669726 -102.87921282 429.98069223 Kr 39.66448343 42.68403127 37.11226018 29422.54588198 -17117.07305702 19098.22428275 Kr 40.71516120 42.93281997 38.81358906 -1039.99157062 226.87268160 -121.81001359 Kr 35.49133878 35.41385920 39.50427763 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10196.88519759 -16513.03751550 8610.20314558 Kr 43.86711865 36.22502115 43.65084414 6.10267849 3.95745886 6.49812978 Kr 40.22865493 37.14039452 42.44921816 -235.31040347 -246.80348799 -129.19288110 Kr 40.58029149 38.47117941 43.82796402 122.05705789 432.67823108 458.32883282 Kr 35.12004424 40.00042707 40.00682194 -418.45606099 -39.14128253 123.77601317 Kr 35.46449589 41.83541913 40.87433342 2839.54239605 -4057.62203726 -5124.63765665 Kr 37.49308810 42.33652103 39.54899916 -93.64807345 -149.44681336 -239.37880840 Kr 38.44716409 43.23465428 41.12953737 126.08434401 154.61772394 235.36327641 Kr 36.96786264 39.88429939 42.61156932 51586.88319606 59290.80736772 -47005.93434986 Kr 39.41085560 41.10936237 43.54917825 -231.87214198 -231.34940897 336.34416411 Kr 34.84911262 42.76766083 42.04035502 -2827.23858167 4248.60071124 5317.54649950 Kr 36.41851943 43.83337009 43.68242222 14.03086907 9.80699861 15.34201266 Kr 39.60675953 39.24865510 40.64950065 4183.99182502 3778.62169077 -5949.24295622 Kr 40.89974943 41.22892384 41.12165250 11568.83329281 -20423.15914005 -23455.79899757 Kr 42.42514645 42.72433644 39.45486603 749.38167197 462.00481665 815.95221344 Kr 43.90918678 43.68770482 41.32374220 9.50275718 6.47394480 11.68086172 Kr 42.89864609 40.36253528 42.01114327 -52.95776765 -157.72946414 -291.08081429 Kr 43.43271795 41.23545638 43.76561610 97.48254241 158.53800186 319.57311578 Kr 40.39757659 42.11536967 42.13716159 -11343.59530994 20688.83162999 23126.23301300 Kr 41.35328338 44.02988149 43.99820222 1.38008744 3.22046043 2.91235694