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=14.585368564498808 stress="-4.028268082178954 0.6677729739559524 -0.7556242699655074 0.6677729739559524 -3.8418868632757404 -0.9485492340741148 -0.7556242699655074 -0.9485492340741148 -3.4437971270008423" pbc="F F T"
Zr       0.20470050       0.12749873       0.26807665     -37.13633037     -49.50922140     -53.43293634 
Zr       1.61781300       1.66162860       0.17273809      18.75947763      22.86734748      -8.89616968 
Ni       1.36129912       0.25219415       1.39762223      65.95640859     -36.66142462      31.81810353 
Ni       0.07924967       1.28416794       1.35485490     -47.57955584      63.30329853      30.51100248