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=7299.798332569564 stress="-36119.102036162774 11999.555344280927 8217.41912474465 11999.555344280927 -31598.235736157483 4624.832356181167 8217.41912474465 4624.832356181167 -23194.179741172033" pbc="F F F" Mc 0.19883801 0.00667551 -0.19707192 -3835.36374060 -4571.39744936 -5089.36670408 Mc 1.55493328 1.40605643 0.19763984 15799.01414266 5963.45670311 -12156.93732836 Mc 1.23494148 0.02970803 1.56131881 13072.90841215 -18623.24729987 8373.51854901 Mc 0.15293522 1.38104555 1.29837149 -25036.55881421 17231.18804613 8872.78548344