256 Lattice="29.822077734191407 0.0 0.0 0.0 29.822077734191407 0.0 0.0 0.0 29.822077734191407" Properties=species:S:1:pos:R:3:forces:R:3 energy=-124.94904512033428 stress="-5.899463703506157e-05 1.0563122186037979e-05 5.7512449845171464e-06 1.0563122186037979e-05 -5.64430978710718e-05 -1.154531153007497e-06 5.7512449845171464e-06 -1.154531153007497e-06 -6.154975238831555e-05" free_energy=-124.94904512033428 pbc="F F F" K 0.02807854 0.01223315 0.06898032 -0.04823164 -0.05087200 -0.05148601 K 3.75517153 3.69747535 0.06913490 0.05791055 0.06238274 -0.11632331 K 3.76971773 0.05043070 3.70989683 0.05428904 -0.11563647 0.07929684 K 0.06605091 3.69897344 3.70611268 -0.11350931 0.06396703 0.06941745 K 7.42483331 0.04294746 0.04622072 0.02265020 -0.07167099 -0.06913493 K 11.19450389 3.67611138 0.05145821 0.00048439 0.08822980 -0.08769454 K 11.26613830 0.04244499 3.69005583 -0.01782922 -0.10034139 0.06727242 K 7.47200551 3.67602015 3.79418760 0.02224845 0.09947966 0.07566050 K 14.82687446 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