256 Lattice="8.61234316605604 0.0 0.0 0.0 8.61234316605604 0.0 0.0 0.0 8.61234316605604" Properties=species:S:1:pos:R:3:forces:R:3 energy=3413.9818631446547 stress="-12.153107622361238 -0.0029884562177223254 -0.011956348778300312 -0.0029884562177223254 -12.15439434036847 -0.007678026221949197 -0.011956348778300312 -0.007678026221949197 -12.162975377588623" free_energy=3413.9818631446547 pbc="F F F" Ne 0.00237822 0.01807562 0.03847941 -23.96478816 -23.22193872 -22.44105220 Ne 1.03408142 1.05345699 0.01272822 5.31813046 2.54284417 -39.33098132 Ne 1.08913397 0.02789368 1.01416512 1.38407085 -38.20894059 7.84554457 Ne 0.03643131 1.05530560 1.06800149 -37.67426677 7.82556035 2.07513242 Ne 2.15799201 0.00891190 0.04237989 2.72194492 -28.50416301 -28.10145358 Ne 3.19872523 1.05715870 0.02781368 2.19600349 3.78087262 -35.31403311 Ne 3.26142179 0.03653263 1.12779932 -3.85303570 -38.34240525 -4.93289331 Ne 2.16696162 1.10844915 1.09271898 -3.22859752 1.84366128 3.19334066 Ne 4.28061439 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