16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-72.44723630149558 stress="-0.0003242291514231141 -4.019930933597024e-05 -2.7248272155977016e-05 -4.019930933597024e-05 -0.00048623528510462194 1.2803798511740917e-05 -2.7248272155977016e-05 1.2803798511740917e-05 -0.0004645673912766584" free_energy=-72.44723630149558 pbc="F F F" Zr 20.72051529 20.97285702 20.94295059 1.25898473 0.41231486 0.47355015 Zr 22.26172667 22.55332204 22.44228004 5.37055671 -3.94631859 -0.78427482 Zr 24.23110688 20.99816022 21.01283276 -1.96846583 -1.33374478 -1.66856312 Zr 25.70071341 22.32858036 22.64720807 3.73886990 2.01099954 -0.59961941 Zr 21.08942344 23.95706424 21.27559981 -4.86765434 -0.73324709 -6.30367350 Zr 22.21321713 25.71736445 22.01992274 3.83009150 4.57138478 1.01442865 Zr 24.28886058 23.79224623 20.79818352 -0.75201765 0.82681638 -0.70642932 Zr 25.50041025 25.68417567 22.54327780 -0.07121336 0.38349933 -0.70885557 Zr 20.99188881 21.06482696 23.84575935 -2.20207543 -2.36667060 -0.23031858 Zr 22.56135348 22.20575425 25.46963223 -0.71873785 1.11469322 2.81333038 Zr 24.15586213 20.90395547 23.78058783 -1.53366233 -3.88719860 0.37256561 Zr 25.23049600 22.62036030 25.45631248 3.26994938 -1.47777949 3.79975870 Zr 21.24843919 24.14432661 23.76023492 -2.86960684 1.92231022 5.05039175 Zr 23.00830096 25.72579133 25.59314663 -1.80921530 0.58884415 0.44932197 Zr 24.19877714 24.10881314 24.13250256 -3.23260731 0.50136607 -4.32755909 Zr 25.60031152 25.55442580 25.35431870 2.55680401 1.41273060 1.35594619