16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-73.2988518777 stress="-0.31211563613010135 0.023823442219297213 -0.018047739627580665 0.023823442219297213 -0.30929399998461987 0.010460202475965652 -0.018047739627580665 0.010460202475965652 -0.30730514210386495" pbc="F F F" Zr 0.08597427 -0.18556893 0.09818750 -1.16089243 -0.94664538 -0.31177149 Zr 1.22051529 1.69273990 1.30722932 5.07436798 -4.33091990 4.49230437 Zr 2.76172667 -0.09235926 0.02008600 0.98417785 -0.38611356 -0.59722374 Zr 4.46498184 1.58317948 1.51283276 1.14837487 -1.04058421 -1.02165126 Zr 0.20071341 2.82858036 0.14720807 -6.38241446 3.43765396 -5.75427282 Zr 1.65545732 4.45706424 1.77559981 -0.36562539 4.53103756 -1.62888489 Zr 2.71321713 3.22429801 -0.21395222 2.25169911 -0.49763109 -3.24450572 Zr 4.70384132 4.29224623 1.23214964 1.34895790 1.56402815 0.43093903 Zr 0.00041025 0.25551247 3.01946377 -1.64854767 -2.37261084 -0.15552505 Zr 1.49188881 1.79062774 4.34620060 1.11869142 -0.73011319 3.06669594 Zr 2.94687702 -0.29424575 2.96963223 -0.40566770 -0.70801398 -0.09238986 Zr 4.65586213 1.59278703 4.33226600 1.03500079 -0.88182335 1.34882233 Zr -0.26950400 3.11991905 2.95631248 -3.43520295 0.87609025 0.95306133 Zr 1.74843919 4.64432661 4.26023492 -1.70752821 3.00262901 3.84051134 Zr 3.24849743 3.25911890 3.19019325 0.90802402 -2.44470678 -1.86684761 Zr 4.64709897 4.57548556 4.53545594 1.23658486 0.92772334 0.54073809