64 Lattice="35.0 0.0 0.0 0.0 35.0 0.0 0.0 0.0 35.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=104.93433891881216 stress="-0.00791678837567711 -0.0011997777544759094 -0.0012987014350045543 -0.0011997777544759094 -0.004508477564573343 -0.000443756985290949 -0.0012987014350045543 -0.000443756985290949 -0.005091989442202257" free_energy=104.93433891881216 pbc="F F F" H 17.02921229 17.49763445 17.66020609 -9.38723485 -13.91360088 -6.71014106 H 17.31417735 17.92583368 17.84004923 9.02378286 14.21870227 4.72195901 H 19.02718311 18.70775415 18.34640923 -0.79306753 -1.72213114 -0.73229093 H 19.40716301 19.68491923 17.35663030 1.05919047 -2.39140518 -4.37956294 H 19.46211378 17.34045034 19.03578408 -45.14056475 -75.71362153 -49.17540243 H 19.59787662 17.63406590 19.22564343 13.26872072 72.73854985 45.20242821 H 17.27054814 19.16505575 19.57948542 -8.54918436 -3.54071806 -4.25134632 H 18.54456403 19.84370464 19.50873540 10.38744740 1.23644870 2.01880262 H 20.35327122 17.20896666 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20.25818957 21.72302925 22.26644004 -0.47779044 -1.45086759 0.69090676