4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-10.10569081314249 stress="-1.718250866796746 0.47084752963042886 0.23659628869816496 0.47084752963042886 -1.6484011419373288 0.21151617144410825 0.23659628869816496 0.21151617144410825 -1.1975826441306816" free_energy=-10.10569081314249 pbc="T F F" N 2.77846858 0.09073906 0.27219963 -2.71669594 -11.91019166 -10.23016537 N 1.43381326 1.45316417 0.47197922 14.08933376 13.62460094 -17.20335492 N 1.22592512 0.18365717 1.70288723 16.36689586 -25.18474649 13.78640852 N 0.08343331 1.29585403 1.44809454 -27.73953368 23.47033720 13.64711177