16 Lattice="21.0 0.0 0.0 0.0 21.0 0.0 0.0 0.0 21.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=513.8095823301989 stress="-0.1380202022515339 0.004889583668448974 -0.005698031084545279 0.004889583668448974 -0.12014123906910823 -0.015251464194983154 -0.005698031084545279 -0.015251464194983154 -0.1444870637669066" free_energy=513.8095823301989 pbc="F F F" C 10.35540510 10.61115480 10.61044915 -63.17077943 -41.23586657 -52.24253427 C 11.45960170 11.06143450 11.08833517 -129.82691774 50.59031544 -181.58497337 C 11.78829595 10.33509776 10.64041416 34.27951390 -245.85703311 -158.83480256 C 12.52812781 11.12077590 11.07834452 269.29466976 -13.31079984 -71.24019869 C 10.37679405 11.93462361 10.70259391 -139.99097026 28.11592659 -91.93403009 C 11.31504129 12.45865944 11.17880138 -197.21285524 265.21815570 40.56832270 C 11.78802619 12.22277084 10.68584377 198.36768083 49.71663760 -277.18799877 C 12.93362810 12.94581920 11.33430451 27.28251766 35.80684509 -3.07011197 C 10.76959405 10.67626233 11.85402479 -145.51161198 -95.96842405 111.80280611 C 11.45996341 11.24207130 12.90300231 -35.15846841 -46.55286096 183.12039923 C 12.03848316 10.45774659 11.91852158 0.83441904 -170.92691720 54.40713821 C 12.70789336 10.91672540 12.52041603 163.86693685 17.95819311 130.69902435 C 10.69178619 12.17346946 12.29140871 -239.43436034 3.31333983 49.41672012 C 11.20582179 12.78253581 12.89904689 17.46473338 113.45463317 123.99750631 C 11.78091226 11.94749994 11.96603997 158.43676543 11.49107356 101.46296170 C 12.55598025 12.57157598 12.76361598 80.47872654 38.18678164 40.61977100