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=-8.146721088510779 stress="-31.14689728943874 0.09910505317608909 -0.49254617472936957 0.09910505317608909 -26.27122018846501 0.3454474331865356 -0.49254617472936957 0.3454474331865356 -26.230163088141925" pbc="F F F" Mo 0.26959405 0.17626233 -0.14597521 -8.77834516 -9.07677242 -12.20851793 Mo 1.70996341 1.49207130 0.15300231 11.79471975 10.50067191 -6.66001826 Mo 1.53848316 -0.04225341 1.41852158 8.36266207 -9.91261717 10.10177855 Mo -0.04210664 1.38825682 1.27041603 -11.37903667 8.48871768 8.76675764