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=69.34632942717576 stress="-7.599977743441044 0.7955038813134389 2.60131801301195 0.7955038813134389 -6.109769978005541 1.5153292246290777 2.60131801301195 1.5153292246290777 -9.487162551167176" pbc="F F T" Re 0.29874826 0.05835534 -0.25354363 -81.69150498 -59.47441985 57.47876949 Re 1.48193431 1.42001865 0.20070203 64.21709392 54.24851062 -32.65094665 Re 1.20342959 0.28187239 1.51001192 120.41253828 -76.82014637 -33.12585205 Re 0.10170120 1.37793365 1.21986988 -102.93812722 82.04605560 8.29802920