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=35.23196395365854 stress="-3.9475096023005487 -0.011530565052063657 -0.03843218198617021 -0.011530565052063657 -3.9339320354004945 -0.007389692292608211 -0.03843218198617021 -0.007389692292608211 -2.13878763677709" free_energy=35.23196395365854 pbc="T T F" Mo 0.20259391 0.21804360 0.22277084 3.73450356 -1.71351949 -19.62648404 Mo 1.68584377 1.64137469 0.19581920 -5.12053442 1.35169821 -22.37702146 Mo 1.64685009 0.18811563 1.67626233 -4.66704285 -1.21237037 20.78874326 Mo -0.14597521 1.66785677 1.49207130 6.05307370 1.57419166 21.21476224