4 Lattice="1.5 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=376.18928225746305 stress="-276.6183010075299 104.42703557131289 -288.8499789064346 104.42703557131289 -482.29031147568537 -47.78606263905028 -288.8499789064346 -47.78606263905028 -407.30859925623656" pbc="F F T" user01 0.04396501 0.07236142 0.20379337 -326.88838048 -481.65848523 -273.86202128 user01 0.98854596 0.51922180 -0.21770305 781.91475649 1170.99187358 1810.10877559 user01 0.77031036 0.18745344 0.77015752 1016.85276552 -3372.11170073 -469.34605259 user01 0.41327610 0.62871118 0.50213077 -1471.87914153 2682.77831237 -1066.90070172