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=13246.307001461419 stress="-2174.9436826535175 -586.7958016437179 546.3045924014356 -586.7958016437179 -2022.0386888709836 -551.8091091771327 546.3045924014356 -551.8091091771327 -1897.8169672584886" pbc="F T F" Mc 0.09919144 0.11727311 0.03366886 -20000.31616209 -28581.11239600 -21171.83653889 Mc 1.30343050 1.32149029 0.25832503 38545.06100507 20015.45782519 -18442.99617873 Mc 1.32468144 -0.11493348 1.59700796 8222.43273095 -5766.01227973 8220.74549105 Mc 0.01589904 1.23512139 1.38846468 -26767.17757393 14331.66685054 31394.08722657