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=9.2664533916293 stress="-14.166027059891823 -1.8312472842909846 0.5148620071112404 -1.8312472842909846 -12.158159834724533 -0.9322052133695502 0.5148620071112404 -0.9322052133695502 -17.85262390341464" pbc="F F F" Mg 0.03369179 0.02598936 -0.27670350 -5.46986774 -5.22484088 -5.82195105 Mg 1.46375436 1.40583543 -0.24440284 5.00477518 5.53668228 -4.96335119 Mg 1.20178472 0.29874826 1.27290972 5.36001118 -4.64401592 6.23138246 Mg -0.11909813 1.36136659 1.55835534 -4.89491862 4.33217452 4.55391978