256 Lattice="29.632099463304073 0.0 0.0 0.0 29.632099463304073 0.0 0.0 0.0 29.632099463304073" Properties=species:S:1:pos:R:3:forces:R:3 energy=-131.8723066652591 stress="-8.027264377990062e-05 3.2217418882675175e-06 -7.358156998917061e-06 3.2217418882675175e-06 -7.888741823687607e-05 -8.911623592535158e-06 -7.358156998917061e-06 -8.911623592535158e-06 -7.40024794613107e-05" free_energy=-131.8723066652591 pbc="F F F" K 0.01037146 0.02595431 0.05476835 -0.04882671 -0.05270726 -0.05533572 K 3.66229157 3.77312847 0.03128786 0.08153842 0.04093507 -0.12231222 K 3.70626867 0.07391637 3.67986345 0.08349272 -0.10688592 0.07335349 K 0.01529925 3.68379835 3.68644478 -0.11327175 0.08004990 0.07098289 K 7.46454605 0.02907269 0.01671605 0.00542466 -0.05804984 -0.07185474 K 11.18829767 3.76149351 0.07131811 -0.02296319 0.05604424 -0.09116598 K 11.06391493 0.02129947 3.76262776 0.02025503 -0.08358187 0.06121828 K 7.43448844 3.71505194 3.65229954 0.00908738 0.09196509 0.10936121 K 14.77087832 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