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=1.7697469050008807 stress="-5.598605516108451 0.17276459882070255 -0.7551058416825969 0.17276459882070255 -5.576536749224244 0.18673466091428148 -0.7551058416825969 0.18673466091428148 -5.748338710445953" pbc="F F F" Ne -0.14801295 -0.02432459 0.06329927 -2.38664264 -1.63638203 -2.37938894 Ne 1.43745442 1.27846858 -0.00548572 1.41308429 2.10255460 -1.70940401 Ne 1.34126820 -0.15859300 1.31668137 2.31610703 -2.44452199 2.24269455 Ne -0.08013605 1.24396547 1.59073906 -1.34254867 1.97834943 1.84609841