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=-0.7299460584523586 stress="0.0482890181234072 0.003334062380436473 0.0029748613162902692 0.003334062380436473 0.04865502097746452 0.004743084588674122 0.0029748613162902692 0.004743084588674122 0.06529705550696166" pbc="F F T" user05 0.25641112 0.22992556 0.27277611 0.65187882 0.56253977 0.29544383 user05 1.62780510 1.30267307 -0.04355133 -0.52121134 -0.51592993 0.18630075 user05 1.64078990 0.14032567 1.40803207 -0.42237930 0.44089336 -0.24508386 user05 0.24172384 1.70831384 1.29661035 0.29171183 -0.48750320 -0.23666072