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=71.62740840977936 stress="-10.354507750989288 1.2055500388047928 -0.8162975561954008 1.2055500388047928 -9.903334953498153 -0.4578452368308537 -0.8162975561954008 -0.4578452368308537 -11.091050111535019" pbc="T T T" Re -0.14459490 0.11115480 -0.01275680 37.20041647 -59.35442468 -11.76310106 Re 1.70960170 1.31143450 0.04092907 -65.08802817 46.01812435 -21.99778652 Re 1.28829595 -0.09986095 1.64041416 -7.59236782 -21.71447558 -6.46512566 Re -0.22187219 1.22744829 1.32834452 35.47997952 35.05077591 40.22601324