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=106.75351239149765 stress="-14.436160907258298 -0.9303559313898502 -0.19859516097855667 -0.9303559313898502 -13.352161000263575 1.6673551350684077 -0.19859516097855667 1.6673551350684077 -8.578091170729087" pbc="T T F" Zr 0.06504129 -0.29134056 0.22277084 26.06538962 65.37945746 -84.20767590 Zr 1.68584377 1.68362810 0.19581920 -33.88833043 -32.36865852 -86.08061473 Zr 1.64685009 0.42259636 1.67626233 -29.75681679 -21.66421756 71.34681189 Zr -0.14597521 1.70996341 1.49207130 37.57975760 -11.34658137 98.94147873