500 Lattice="10.644846317743163 0.0 0.0 0.0 10.644846317743163 0.0 0.0 0.0 10.644846317743163" Properties=species:S:1:pos:R:3:forces:R:3 energy=42072.89840225457 stress="-141.7676958710568 0.19329734197439272 0.37223609674040514 0.19329734197439272 -141.63281983812232 0.056929556259038575 0.37223609674040514 0.056929556259038575 -141.63461137693184" free_energy=42072.89840225457 pbc="F F F" Ne 0.01204759 0.04133153 0.02481314 -217.75362767 -281.81111646 -288.00002920 Ne 1.08178381 1.07978831 0.01369135 -26.88703561 -0.06298606 -476.57504299 Ne 1.10294971 0.01810604 1.03953547 -125.79946171 -487.27016579 148.61772554 Ne 0.03064909 1.03030980 1.05298441 -435.21333370 72.96789449 154.71508541 Ne 2.12297503 0.02095499 0.01516271 125.78812283 -346.24108242 -377.89856185 Ne 3.21499297 1.08643883 0.00397389 -71.34918054 -77.35116622 -380.77603742 Ne 3.23874026 0.03140218 1.09720379 -79.00310175 -379.55066819 -70.05096259 Ne 2.11644690 1.02656605 1.04736636 199.65451425 194.36479410 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