256 Lattice="8.506902694702148 0.0 0.0 0.0 8.506902694702148 0.0 0.0 0.0 8.506902694702148" Properties=species:S:1:pos:R:3:forces:R:3 energy=20857.813958835803 stress="-137.6026422258307 0.07771609343700044 -0.48630849608353 0.07771609343700044 -137.42643946574393 0.24807419154690538 -0.48630849608353 0.24807419154690538 -137.71800526422905" free_energy=20857.813958835803 pbc="F F F" Ne 0.02789341 0.02434590 0.02241437 -270.62157210 -292.67608172 -269.62922306 Ne 1.03742094 1.06255460 0.00400755 171.22853738 11.02956059 -396.74239473 Ne 1.02524734 0.00964010 1.10101249 235.84600594 -442.92572240 -164.28856159 Ne 0.02211741 1.05236750 1.05456244 -512.92286129 63.49850717 12.92441469 Ne 2.09686685 0.00386847 0.03672530 -76.53738311 -303.18153141 -292.39255417 Ne 3.16176325 1.02215393 0.00205149 75.61082394 156.48275043 -403.32134292 Ne 3.17063143 0.01083672 1.03448525 77.23574400 -466.02997324 123.52960858 Ne 2.16748987 1.06773108 1.10860228 -117.10774684 45.63416551 -134.01262331 Ne 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