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=208267.35081074503 stress="-28480.90994746025 -4212.323131767146 2678.924999110377 -4212.323131767146 -30035.61386903696 -10698.546011485807 2678.924999110377 -10698.546011485807 -34904.651552309115" pbc="F T F" Zr 0.26879596 -0.14400443 0.10455032 -174894.88190347 157509.42517658 -308606.82151169 Zr 1.75170611 1.79198279 0.22146586 245271.38903702 -452306.27512392 -513792.89926637 Zr 1.33396473 -0.28789967 1.31610876 321626.37208693 678818.08076201 670231.78581781 Zr 0.10889212 1.78261422 1.35626601 -392002.87922048 -384021.23081466 152167.93496025