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=28872.68429201957 stress="-5384.091826846748 3419.839886162511 -31.250726029259006 3419.839886162511 -5236.227685212636 247.21996302062158 -31.250726029259006 247.21996302062158 -2855.9974735460382" pbc="T T T" Re 0.29439773 -0.26664610 0.11915858 -96046.30688132 79125.83486646 16776.57958878 Re 1.45057244 1.73396157 0.29024806 87978.39968165 -71746.46649205 11877.55559894 Re 1.21792227 0.29025992 1.77147630 34946.86082586 -12194.42318501 -15517.49557509 Re 0.16890652 1.62611651 1.77716305 -26878.95362619 4815.05481061 -13136.63961263