108 Lattice="8.517985825139288 0.0 0.0 0.0 8.517985825139288 0.0 0.0 0.0 8.517985825139288" Properties=species:S:1:pos:R:3:forces:R:3 energy=35658.98047294928 stress="-235.0399951344422 -0.2309509099479152 -1.3403897431020737 -0.2309509099479152 -234.0415256813959 -0.5815589977057426 -1.3403897431020737 -0.5815589977057426 -233.73202501748742" free_energy=35658.98047294928 pbc="F F F" Kr 0.04837090 0.04095908 0.01359863 -625.37698355 -920.31417861 -996.14133876 Kr 1.45897044 1.47187157 0.03075250 -342.23903774 -499.33975113 -1822.91429580 Kr 1.39878968 0.03435153 1.47190262 185.66438412 -1877.79413916 -454.91393144 Kr 0.01845190 1.36966942 1.37296429 -1600.75118561 534.65179083 371.24604470 Kr 2.80667543 0.01036338 0.00635945 -59.47939570 -1051.15122719 -1105.05472510 Kr 4.29026294 1.41292835 0.00994476 -582.81846183 275.39896812 -1486.86673056 Kr 4.23176003 0.02837770 1.36674010 -119.66663638 -1445.94582869 480.01813062 Kr 2.79904732 1.37420874 1.40072899 743.53392348 525.48093147 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