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=-3.0447758131339686 stress="-3.2009025879428696 0.061145074085993706 -0.0034798533509201013 0.061145074085993706 -2.8966335133428514 -0.04345201171528445 -0.0034798533509201013 -0.04345201171528445 -2.8934727369482056" free_energy=-3.0447758131339686 pbc="T T T"
Mo       0.20384132      -0.20775377      -0.11198823      -1.22803503      -0.65327649       0.71362357
Mo       1.50041025       1.75551247      -0.14555376      -1.00259812      -2.27299519      -0.80662667
Ni       1.49188881       0.06482696       1.34620060       0.58662683      -0.39810104       0.39111868
Ni       0.01821382       1.20575425       1.46963223       1.64400633       3.32437271      -0.29811558