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:Z:I:1:forces:R:3 energy=40.868231831560095 pbc="T F T" Zr 0.01283276 0.20071341 -0.17141964 40 38.04540932 -33.27604667 32.97256646 Zr 1.64720807 1.58942344 -0.04293576 40 -50.88615868 30.54680316 -13.98665500 Cu 1.77559981 -0.28678287 1.71736445 29 -28.70306735 -31.73197022 -42.06415154 Cu -0.21395222 1.70384132 1.29224623 29 41.54381671 34.46121372 23.07824007