256 Lattice="10.679462432861328 0.0 0.0 0.0 10.679462432861328 0.0 0.0 0.0 10.679462432861328" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1305.4174231013917 stress="-0.026289279786338292 0.0018915773763775 -0.0005001023814584464 0.0018915773763775 -0.028781111733259552 -0.0005199638494642734 -0.0005001023814584464 -0.0005199638494642734 -0.027686709819170447" free_energy=-1305.4174231013917 pbc="F F F" C 0.01750852 0.01528177 0.01406937 2.43181834 2.56698393 2.43016331 C 1.32385085 1.32266057 0.00251552 -0.13963813 -0.20801019 -1.84451120 C 1.32868084 0.00605103 1.33929190 -0.02322668 -1.97624467 -0.02235739 C 0.01388297 1.31903704 1.31665233 -1.86311808 -0.11959738 -0.07111157 C 2.63282747 0.00242821 0.02305225 0.40427007 5.13429498 5.12265772 C 4.01336424 1.30906623 0.00128771 0.09802343 -2.08349124 -1.14963065 C 3.99808221 0.00680214 1.31680651 -0.03314029 -1.28529199 -2.10227759 C 2.67535050 1.34423801 1.34565642 -0.21884419 -2.97180425 -3.30156784 C 5.34640872 0.00140619 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