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:Z:I:1:forces:R:3 energy=541126903.2211404 pbc="T T T" Mo -0.04154189 0.57825700 0.00174535 42 -350374364.06996310 -12464831.71315631 -161514145.48491797 Mo 0.79760245 0.58267427 0.16756757 42 1346223446.70871019 3065500406.91284704 -4032329138.23454666 Mo 0.72576301 0.09173477 0.65203388 42 946652819.15598214 -5748843213.03394794 2537287330.79415417 Mo 0.38327335 0.70123084 0.81097717 42 -1942501901.79472995 2695807637.83425522 1656555952.92531633