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=937.9179336225652 stress="-2195.154558637434 -745.8073930333528 -179.78418177297533 -745.8073930333528 -4423.315277839225 2589.351067803073 -179.78418177297533 2589.351067803073 -4900.45930408418" pbc="F F F" No 0.08478226 -0.23932472 -0.01049819 -1112.96206842 -372.40639739 -1116.31088035 No 1.62122422 1.24950412 0.19755251 999.43229379 2800.10575190 -2722.67055353 No 1.30497813 0.01818185 1.38361106 588.19311646 -2968.92458856 3546.28896070 No 0.20723950 1.64335665 1.77635532 -474.66334183 541.22523405 292.69247318