4 Lattice="4.75 0.0 0.0 0.0 4.75 0.0 0.0 0.0 4.75" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=15.598779844510036 pbc="T T T" Mo -0.00925081 -0.00152029 0.00395620 42 -32.94115036 -32.87308952 -32.58659196 Mo 1.18359090 1.17365429 -0.00034286 42 33.83148009 33.08618374 -33.58797415 Mo 1.17757926 -0.00991206 1.17604259 42 32.53042188 -33.11582589 32.17483634 Mo -0.00500850 1.17149784 1.19317119 42 -33.42075162 32.90273167 33.99972977