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=2756.371806149448 stress="-13792.863738075994 -7279.87192884606 946.2983017955448 -7279.87192884606 -14618.235579906375 641.5964394218772 946.2983017955448 641.5964394218772 -7996.363490678203" pbc="F F F" Mo -0.01230733 0.15197285 -0.11947572 -7750.37417950 -8745.41473205 -1489.09387977 Mo 1.29555453 1.49395598 -0.28028995 7708.20567702 8150.93156672 -3399.29624887 Mo 1.50892472 0.27614180 1.45458615 2253.04841695 -2002.70462698 2502.08195414 Mo -0.14084716 1.66456914 1.35195054 -2210.87991447 2597.18779230 2386.30817451