32 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=16268.117463293145 stress="-3.2288563565585253 0.021426383863529564 -0.07112457606408419 0.021426383863529564 -2.7297343027419725 -0.18205280649928227 -0.07112457606408419 -0.18205280649928227 -2.7626683381867547" free_energy=16268.117463293145 pbc="F F F" C 10.38909689 10.61115480 10.61044915 -488.09774559 -2087.19529474 -1294.42592638 C 11.48559105 10.78473100 10.33833517 -326.92036289 578.49209590 -2264.77168197 C 11.00205031 10.33509776 11.29624959 -2940.23334048 -2565.84661497 545.15472282 C 10.27812781 11.26878885 10.83394168 -978.48837339 1750.31637443 733.83419129 C 11.57857878 10.45894820 11.00134217 2749.19956428 -1429.18060662 -693.42981621 C 12.58795100 10.83956130 10.42385746 918.42767608 -277.80260777 -1194.52999719 C 12.53802619 10.72277084 11.43584377 -952.24805223 -2143.09010799 -2271.78281454 C 12.18362810 11.44581920 11.14330646 -757.29668502 -2923.33658009 -98.56785167 C 10.75152836 12.09628098 10.35402479 179.54961362 -1338.09031283 -2052.58035119 C 11.45996341 12.74207130 10.65300231 -226.78567152 1387.24810432 -1039.75920480 C 11.28848316 11.95774659 11.36922360 -450.64982210 -1284.31612343 -1874.39735711 C 10.45789336 12.63825682 10.72384562 -1685.99022374 1769.00536699 628.45351076 C 12.19178619 12.07980684 10.79140871 -2739.83658074 -689.91400205 -8243.52721452 C 12.86455359 12.78253581 10.64904689 1138.63178586 1127.85835487 -1452.83813668 C 12.53091226 12.10402841 11.21603997 7145.99129751 -1407.50048588 3449.23516033 C 12.08785264 12.57157598 11.26361598 -2337.39841998 5507.42083971 1424.53823148 C 10.35198705 10.48568734 12.04783266 -1450.27679966 -336.81294513 -4.66172834 C 11.28915563 10.90640223 11.71355814 -172.89785169 1024.35751562 1462.14253904 C 11.09209421 10.34140700 12.56668137 278.31806459 -1131.35320951 740.62924112 C 10.66610492 11.13698948 12.84073906 -631.11430189 286.48124907 814.07363827 C 12.27219963 10.43381326 12.13132919 -559.59399642 -1650.17808470 1073.71700064 C 13.00978669 10.97592512 11.78504734 3538.50345502 1267.48751127 1546.64499422 C 12.78864610 10.81331582 12.83343331 1654.63063832 -380.72776652 888.37530374 C 12.00532527 11.05322305 12.97094491 -968.89352663 341.00517974 854.74200841 C 10.73171545 12.23471041 11.73517381 -3497.31008172 -52.98187312 515.87603996 C 11.30874744 12.67485375 12.00231901 710.98175443 2855.65003842 344.36813268 C 11.03220450 12.28278197 12.81210000 3801.33779275 -4160.52688590 479.41916115 C 10.63362859 12.57702941 12.82034430 -5939.71801545 4234.87495271 1220.54017057 C 11.87083317 11.96522659 11.91561068 485.54613219 -955.04668036 1916.10388283 C 12.88661615 12.65480033 11.60005924 2208.01122348 1723.26471452 1715.96077202 C 12.54869006 12.04899949 12.51735611 1418.15224953 -106.83623669 827.71865335 C 11.83533445 12.49148635 12.83611608 876.46860348 1067.27412073 1303.74472591