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=-73.29885187767748 stress="-0.0004917874566367585 3.753759408733341e-05 -2.8437062876884284e-05 3.753759408733341e-05 -0.00048734152345395593 1.648170029333765e-05 -2.8437062876884284e-05 1.648170029333765e-05 -0.0004842077638931927" free_energy=-73.29885187767748 pbc="F F F" Zr 21.08597427 20.81443107 21.09818750 -1.16089243 -0.94664538 -0.31177149 Zr 22.22051529 22.69273990 22.30722932 5.07436798 -4.33091990 4.49230437 Zr 23.76172667 20.90764074 21.02008600 0.98417785 -0.38611356 -0.59722374 Zr 25.46498184 22.58317948 22.51283276 1.14837487 -1.04058421 -1.02165126 Zr 21.20071341 23.82858036 21.14720807 -6.38241446 3.43765396 -5.75427282 Zr 22.65545732 25.45706424 22.77559981 -0.36562539 4.53103756 -1.62888489 Zr 23.71321713 24.22429801 20.78604778 2.25169911 -0.49763109 -3.24450572 Zr 25.70384132 25.29224623 22.23214964 1.34895790 1.56402815 0.43093903 Zr 21.00041025 21.25551247 24.01946377 -1.64854767 -2.37261084 -0.15552505 Zr 22.49188881 22.79062774 25.34620060 1.11869142 -0.73011319 3.06669594 Zr 23.94687702 20.70575425 23.96963223 -0.40566770 -0.70801398 -0.09238986 Zr 25.65586213 22.59278703 25.33226600 1.03500079 -0.88182335 1.34882233 Zr 20.73049600 24.11991905 23.95631248 -3.43520295 0.87609025 0.95306133 Zr 22.74843919 25.64432661 25.26023492 -1.70752821 3.00262901 3.84051134 Zr 24.24849743 24.25911890 24.19019325 0.90802402 -2.44470678 -1.86684761 Zr 25.64709897 25.57548556 25.53545594 1.23658486 0.92772334 0.54073809