108 Lattice="7.907548393538094 0.0 0.0 0.0 7.907548393538094 0.0 0.0 0.0 7.907548393538094" Properties=species:S:1:pos:R:3:forces:R:3 energy=-524.9218754946969 stress="-0.0393447900927313 -0.0011207590134488014 0.00019892789569885916 -0.0011207590134488014 -0.032337313416697745 -0.0011905686284738733 0.00019892789569885916 -0.0011905686284738733 -0.03171881384869073" free_energy=-524.9218754946969 pbc="F F F" C 0.00244316 0.01939131 0.01300233 2.61350711 2.40838252 2.55821188 C 1.29863328 1.34444273 0.01272071 -0.84748589 -0.30869033 -2.61092959 C 1.29854533 0.02008082 1.30370101 -0.76088470 -2.53701281 -0.84637702 C 0.00795325 1.32096987 1.30833945 -2.95817099 -0.40868541 -0.51119993 C 2.65599877 0.01588280 0.01358459 0.33269560 3.57718956 3.82313008 C 3.91355996 1.33492227 0.01281144 0.20835402 -2.18138682 -3.08436921 C 3.96420470 0.01315477 1.30767284 0.30868929 -2.88919951 -2.49945182 C 2.64238097 1.30706847 1.30427782 -0.24645426 -3.74180557 -3.70851020 C 5.26279468 0.02072644 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