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=49.28813738310409 stress="-6.262205519858077 -0.1849976404838758 0.028637708823091086 -0.1849976404838758 -4.489290824220698 -0.365847051507292 0.028637708823091086 -0.365847051507292 -7.454608675005124" pbc="T F T" Si 0.03848316 0.19178619 0.17895518 19.47594135 -45.38684319 -24.21198235 Si 1.79140871 1.61455359 0.03253581 -31.19205982 40.50857941 -5.74663660 Si 1.64904689 0.10609294 1.46603997 -29.73075726 -47.77125745 12.99314244 Si -0.19401975 1.32157598 1.51361598 41.44687573 52.64952123 16.96547651