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=3936.3457280426223 stress="-713.1259062749617 -58.77255463651372 -50.311552330587226 -58.77255463651372 -413.009059389845 -51.39052733244115 -50.311552330587226 -51.39052733244115 -666.3449125142033" pbc="T F T" Sr -0.09718776 0.10168335 -0.18371997 3260.00315357 -2784.21472141 4587.49042050 Sr 1.38750232 1.60448458 -0.23615085 -2044.24491152 3844.61177763 4031.47827046 Sr 1.53782033 0.07298885 1.53522180 -4138.00470050 -4437.06554267 -5510.78811868 Sr -0.21736681 1.65535613 1.42219627 2922.24645846 3376.66848645 -3108.18057228