500 Lattice="10.619694838831668 0.0 0.0 0.0 10.619694838831668 0.0 0.0 0.0 10.619694838831668" Properties=species:S:1:pos:R:3:forces:R:3 energy=43280.30920780833 stress="-146.50946182396405 0.26297100045532557 -0.1479868617278996 0.26297100045532557 -147.04125774368194 0.7749125025000723 -0.1479868617278996 0.7749125025000723 -146.72530490428736" free_energy=43280.30920780833 pbc="F F F" Ne 0.01322666 0.01795547 0.02532605 -294.58091476 -179.65006227 -271.57839629 Ne 1.09728343 1.05240781 0.03478773 -92.27468702 47.34746085 -558.97822400 Ne 1.02593085 0.03584175 1.02350584 226.90031921 -473.35188419 168.20297700 Ne 0.02784494 1.10686578 1.08776807 -581.86136604 -164.86371716 -157.56649400 Ne 2.15870664 0.02537676 0.00397753 -86.88163046 -429.17019595 -270.35688756 Ne 3.14698210 1.03753834 0.03376222 208.44343068 149.87491108 -583.76177073 Ne 3.21582815 0.03867145 1.08662518 -58.20896888 -575.88258216 -112.43121551 Ne 2.16177730 1.10367813 1.03608438 -167.17108389 -106.78519605 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