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=45.4300270569 stress="-21.71354792634207 0.5108536778666987 -2.10393931725599 0.5108536778666987 -21.027113838441448 0.5746143995243543 -2.10393931725599 0.5746143995243543 -21.908206087188706" pbc="F F F" O -0.14801295 -0.02432459 0.06329927 -32.76596484 -22.84010319 -32.09086668 O 1.43745442 1.27846858 -0.00548572 21.15062468 28.87086050 -24.40185863 O 1.34126820 -0.15859300 1.31668137 31.47575979 -33.22386434 29.91021959 O -0.08013605 1.24396547 1.59073906 -19.86041963 27.19310704 26.58250572