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=-40.312651062989424 stress="-155.89851558963784 6.773649374603298 1.2524934245093249 6.773649374603298 -119.54583681934346 -29.504633000590914 1.2524934245093249 -29.504633000590914 -131.58514554321698" pbc="F F F" Zr -0.14459490 0.11115480 0.11044915 -4.53230072 -3.61791239 -3.55398176 Zr 1.70960170 1.31143450 1.19032222 -9.22269418 8.76264942 5.94397077 Zr 2.78829595 -0.16490224 0.14041416 6.67555921 -14.27890041 -11.82857761 Zr 4.27812781 1.49446427 1.39164379 11.99473761 1.47043747 -0.95530131 Zr -0.12320595 2.89640262 0.20259391 -7.05589103 -0.24664311 -3.81947667 Zr 1.56504129 4.20865944 1.36550211 -17.39002230 23.92100983 8.67740253 Zr 2.78802619 3.22277084 0.18584377 15.64611042 -7.09323105 -24.28462854 Zr 4.46209668 4.69033349 1.48811829 4.06996217 3.13322794 0.73983718 Zr 0.26959405 0.17626233 2.85402479 -7.58310345 -4.63812846 1.04505952 Zr 1.55137041 1.30875267 4.65300231 0.96075540 0.96475067 8.24044115 Zr 2.95834710 -0.04225341 2.91852158 -0.90804725 -11.20446277 0.69624431 Zr 4.45789336 1.13222229 4.27041603 6.06805283 3.74158527 5.54414973 Zr 0.19178619 3.17895518 3.38214777 -9.06187556 -0.96675222 -0.70958209 Zr 1.88675322 4.53253581 4.64904689 -4.56348819 6.11082625 6.80273931 Zr 2.78091226 3.10609294 2.89985323 7.85860342 -6.90950299 6.01643766 Zr 4.30598025 4.45290517 4.51361598 7.04364163 0.85104655 1.44526583