256 Lattice="10.679464469807135 0.0 0.0 0.0 10.679464469807135 0.0 0.0 0.0 10.679464469807135" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1304.179979807584 stress="-0.03382306368096335 -0.0007771424344447664 -0.0017209420788829336 -0.0007771424344447664 -0.042787217207052815 0.0011637476634933329 -0.0017209420788829336 0.0011637476634933329 -0.036507427287683025" free_energy=-1304.179979807584 pbc="F F F" C 0.00185092 0.01395421 0.02666632 2.49655178 2.25798540 2.50532836 C 1.35208216 1.36151794 0.02359486 -0.08843120 -0.40664016 -1.50698196 C 1.30076224 0.00200023 1.35198415 -0.57871705 -1.64288115 -0.12852108 C 0.00367804 1.33892391 1.35927265 -1.59977293 -0.36194017 -0.33649658 C 2.65171157 0.01852747 0.00699835 0.35079227 5.27431423 5.02542788 C 4.00489779 1.33739926 0.00453747 0.03279377 -2.05391052 -1.22787650 C 3.97456774 0.01950609 1.33434242 -0.31601376 -1.83853973 -1.80959712 C 2.69741929 1.35669560 1.33779875 -0.34206211 -3.14004193 -2.93011707 C 5.36904543 0.00375746 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