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=38.86972362963757 stress="-3.159425572639335 -0.05497733405685019 0.07190429293579378 -0.05497733405685019 -4.8883199273119144 0.3935278697294017 0.07190429293579378 0.3935278697294017 -3.610019159140575" pbc="F T F" Zr 0.29768454 -0.01726309 0.17089611 -34.11584244 -15.17553507 -31.90591680 Zr 1.47011124 1.20220318 0.26235339 44.01482977 20.98954636 -37.79766807 Zr 1.34838096 0.21005355 1.71211731 32.00497004 -21.98182019 40.37754532 Zr 0.29594673 1.51397658 1.49042854 -41.90395737 16.16780889 29.32603955