256 Lattice="10.822566986083984 0.0 0.0 0.0 10.822566986083984 0.0 0.0 0.0 10.822566986083984" Properties=species:S:1:pos:R:3:forces:R:3 energy=-682.3481161536957 stress="-0.0895303044949784 0.0007582703073892621 0.004415963801415192 0.0007582703073892621 -0.09895432101130715 -0.0015222676759437323 0.004415963801415192 -0.0015222676759437323 -0.09172811945707493" free_energy=-682.3481161536957 pbc="F F F" C 0.01774314 0.01548655 0.01425790 3.06052071 2.88419916 2.69361025 C 1.33631910 1.35230675 0.00254922 1.69821114 -0.57816503 -5.25347896 C 1.32857541 0.00613212 1.37677001 2.58503501 -5.81199054 -1.54170346 C 0.01406900 1.34582668 1.34722290 -6.75328915 0.99181892 0.04078679 C 2.68664840 0.00246075 0.02336115 -1.73841278 3.15704586 2.97508980 C 4.04044478 1.32660768 0.00130497 1.03545557 1.07386591 -3.55058355 C 4.04608587 0.00689329 1.33445169 0.90286069 -3.45092258 1.23568896 C 2.72492082 1.36225077 1.36368819 0.46182502 0.68521327 0.23809367 C 5.43392115 0.00142503 0.00174278 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