32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=20781.82071422227 stress="-0.899679388854638 0.08370078093200611 -0.18228298543534488 0.08370078093200611 -1.251247656817415 0.21187870986709112 -0.18228298543534488 0.21187870986709112 -1.2372850324822675" free_energy=20781.82071422227 pbc="F F F" Kr 20.88909689 21.13714415 21.07420351 -2136.78340139 -6159.13512935 -8297.48664000 Kr 22.61543713 22.31143450 21.13708343 -16.60114549 1107.91498481 -1061.60583650 Kr 22.06120567 20.89345311 22.38687053 3710.11105293 -3295.95432080 1248.49390990 Kr 20.97882984 22.22221844 22.22919618 -1990.34492790 8868.02429977 6432.63837981 Kr 23.87472952 20.95894820 21.48446629 41.92319417 -1241.00452240 -803.59393494 Kr 25.57505321 22.19319283 20.96720332 336.57322769 210.00364302 -615.37105072 Kr 25.28802619 21.22277084 22.68584377 -931.28385806 -8122.26903912 -8349.62204112 Kr 24.18362810 22.69581920 22.52478374 -2807.77615356 -2919.90034999 643.11039366 Kr 20.98863791 24.17708835 20.85402479 -92.63374105 -398.88459693 -543.13628743 Kr 22.70996341 25.49207130 21.15300231 -1753.89452803 856.86276204 -2171.05701549 Kr 22.78472413 23.95774659 22.56154559 -2503.75358959 -2692.04116201 -67.97495423 Kr 20.81288230 25.38825682 22.38084462 -697.00336558 1950.52663504 -935.89325659 Kr 24.19178619 24.17895518 21.29140871 -4312.88995518 -1961.49715655 -8481.72102372 Kr 25.46968210 25.44587465 20.99560180 1158.02077425 1239.44406791 -495.60421541 Kr 25.28091226 23.97850529 22.46603997 8050.37553009 1532.08385882 4989.37023777 Kr 23.80598025 25.32157598 22.51361598 2500.18382685 5413.67145595 3497.60718490 Kr 20.85198705 20.88616701 23.78616347 -1614.14454493 -709.03399565 765.25020886 Kr 22.37603515 22.03052278 24.14940211 -6.89676386 29009.84988983 -27387.54628416 Kr 22.40115360 21.00571782 25.13093867 918.99319608 -29000.21381281 27534.26669463 Kr 20.90830460 22.27674260 25.49045880 -697.05057251 401.87435599 487.69869539 Kr 24.27219963 20.89478999 24.13132919 -2305.42318928 -1511.06642646 -131.31785662 Kr 25.75978669 22.22592512 23.78504734 4334.21179913 8338.46925216 6442.70036692 Kr 25.46585024 21.42102615 25.35059400 3656.85611300 -1867.72970117 2671.41751569 Kr 23.98995639 22.27905951 25.60295688 -2457.58089610 1845.32904215 903.81260650 Kr 21.23171545 24.11490920 23.54185980 -1187.63312193 -1983.16850405 1765.72872510 Kr 22.48915680 25.42485375 24.12990665 82.08504222 2091.80935191 -1347.63455739 Kr 22.28220450 24.28278197 25.56210000 7497.12440244 -9701.70976889 1746.70633696 Kr 21.13362859 25.32702941 25.48695988 -9526.66202458 8159.86882100 20.43612972 Kr 24.01364665 24.28060060 24.20952263 -3769.10303215 -3745.18845338 -5252.49575447 Kr 25.36276144 25.40480033 23.89822649 1831.00739952 2238.95644692 -668.74930376 Kr 25.29869006 24.11041876 25.26735611 4388.10452169 -1670.06464345 3485.45919316 Kr 23.83533445 25.24148635 25.58611608 301.88873110 3714.17271568 3976.11343357