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=1178.473704894108 stress="-5366.631593193165 142.14047459638877 1905.5649020910532 142.14047459638877 -4012.014856357807 -239.30289668895898 1905.5649020910532 -239.30289668895898 -4896.373714462805" pbc="F F F" Xe 0.47197922 -0.14416822 -0.21495266 -1123.54432864 -1211.72485155 -1160.06708595 Xe 1.68365717 1.48509173 0.08343331 3222.86618579 941.54800757 -2088.52353624 Xe 1.29585403 -0.05190546 1.72094491 899.47377111 -1144.66268876 1320.85393309 Xe 0.23171545 1.68190327 1.32183498 -2998.79562825 1414.83953274 1927.73668910