256 Lattice="8.612343099146893 0.0 0.0 0.0 8.612343099146893 0.0 0.0 0.0 8.612343099146893" Properties=species:S:1:pos:R:3:forces:R:3 energy=3421.394697680324 stress="-12.173802946109701 0.008816248669852133 0.027614632579230424 0.008816248669852133 -12.184417648940165 -0.022953804766753346 0.027614632579230424 -0.022953804766753346 -12.187661175401702" free_energy=3421.394697680324 pbc="F F F" Ne 0.01188475 0.02070026 0.01467874 -20.31295084 -18.22759505 -18.30977643 Ne 1.05309881 1.09626360 0.04046603 3.71014750 -4.13327716 -38.36671132 Ne 1.10159316 0.01523012 1.03103223 -0.51114955 -37.07564620 4.77774497 Ne 0.01131435 1.11665330 1.11258018 -36.98796107 -6.61529833 -1.87398753 Ne 2.17161917 0.03947769 0.03682927 -0.44967516 -30.54744741 -32.19102018 Ne 3.25417806 1.04082167 0.03516881 0.37865701 3.22275677 -41.62734942 Ne 3.25713059 0.02726478 1.10116619 1.55123170 -41.53699910 -2.00174865 Ne 2.22417031 1.06809450 1.04851211 -8.00697534 4.96543178 5.53248061 Ne 4.33987062 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