504 Lattice="25.7534775298907 0.0 0.0 0.0 18.21045860052109 0.0 0.0 0.0 120.18289513948993" Properties=species:S:1:pos:R:3:forces:R:3 energy=-826.6464740972431 stress="-0.00043094188506448064 3.8240071868192235e-12 -2.046383264282039e-07 3.8240071868192235e-12 0.0005353466785052991 4.984682693083305e-08 -2.046383264282039e-07 4.984682693083305e-08 -1.1227369150435872e-07" free_energy=-826.6464740972431 pbc="T T F" Sr 0.00775834 0.00649226 29.45076764 -0.00000781 0.00000134 -0.00000281 Sr 4.29999974 0.00654703 29.45076560 -0.00000748 -0.00000259 -0.00000284 Sr 2.15382798 3.04158079 32.01897942 -0.00000669 0.00000019 -0.00000394 Sr 6.44608276 3.04158012 32.01899006 -0.00000720 0.00000021 -0.00000476 Sr 4.29988698 0.00650165 34.25998402 -0.00000667 0.00000016 -0.00000294 Sr 8.59213735 0.00650173 34.25997122 -0.00000694 0.00000026 -0.00000205 Sr 6.44589357 3.04157852 36.45999771 -0.00000587 0.00000104 -0.00000162 Sr 10.73813974 3.04157953 36.45997420 -0.00000641 0.00000090 -0.00000023 Sr 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