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=437.30423650678404 stress="-0.00554032039008577 0.004336728758148538 0.005529832958466053 0.004336728758148538 -0.00862311114767837 -0.008099877788241575 0.005529832958466053 -0.008099877788241575 -0.010519797611289187" free_energy=437.30423650678404 pbc="F F F" N 34.64073434 35.61143356 35.19225761 -7.66174560 -2.43887969 -4.32687849 U 36.05395461 36.05609886 36.02404071 16.28720725 4.84233626 2.40441890 N 37.39826390 37.53295332 35.13569752 -5.79483931 -6.47132976 2.05828052 N 38.38460058 39.19596811 36.56227891 67.29743423 -11.06315614 -43.07410342 N 37.51862015 34.73026652 37.62063457 -0.50268835 3.63802302 -3.04592895 N 38.24064779 36.75352665 38.86104827 4.17197154 -7.89707140 -8.00871238 U 35.21964244 37.84572765 37.89730147 -87.95894964 -132.90556296 -168.24863499 U 35.90532241 38.87238122 39.22108487 2075.49126692 -2174.91549986 -2794.22897405 U 39.79987743 35.20376640 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2160.13501200 2883.33479117 U 36.02366420 41.10003347 41.03892047 80.04396030 147.59742357 85.17456379 N 36.63930636 43.17500655 39.83584320 14.70268774 -14.69336129 13.46838211 U 39.70841623 44.05089110 40.69150860 -8.86875030 2.53307062 6.39557926 N 38.22077796 39.29371491 41.86202506 -50.51733508 23.90862000 44.69240472 U 39.30455781 40.82795067 43.14609727 -1.67941332 0.48022723 4.68390348 U 34.61887312 43.21439348 42.09851333 6.36207264 1.90647155 6.59984027 N 36.12737216 43.81040497 43.74624503 -6.13209409 -3.05386680 -7.09336515 N 39.88323708 40.40837399 40.89937934 -16.69916315 -9.63473080 -10.81812543 U 40.64338604 41.15342067 41.02112100 38.38674848 32.63105782 7.29600355 N 41.99063435 42.19535743 40.23209613 6.02441715 1.29808968 -3.80904932 U 43.10977291 43.44343698 42.09981948 -6.20915348 -3.79916637 6.46038614 N 42.60982437 39.27046127 42.95028613 -0.19095282 -2.63368641 -2.70006519 N 43.73083656 41.07481026 43.79948225 -2.10582355 1.53635390 -3.61205884 N 40.87439320 43.10741563 41.72990546 3.14442409 2.34457625 7.48341138 N 41.47241324 43.39697554 43.80311311 5.64159036 0.48249633 -4.27487241