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=-46.36308179638608 stress="-0.0017041289094766794 -3.713639874670526e-05 -0.00012921262198376803 -3.713639874670526e-05 -0.0013043019470985078 -0.00018657071418580408 -0.00012921262198376803 -0.00018657071418580408 -0.0014178630408920527" pbc="F F F" Zr 20.85540510 21.11115480 21.11044915 -4.19706512 -3.54980932 -3.52391013 Zr 22.70960170 22.31143450 22.19032222 -6.70237390 2.29546944 3.49770125 Zr 23.78829595 20.83509776 21.14041416 3.07185623 -9.11670605 -8.02795315 Zr 25.27812781 22.49446427 22.39164379 12.36471010 0.60775918 -0.23279204 Zr 20.87679405 23.89640262 21.20259391 -6.43287513 0.53168209 -3.17736355 Zr 22.56504129 25.20865944 22.36550211 -4.93882109 14.32562963 0.91406578 Zr 23.78802619 24.00123941 21.18584377 6.52160733 2.40245424 -14.46984043 Zr 25.68362810 25.69033349 22.48811829 1.48726703 1.15466765 0.05046229 Zr 21.26959405 21.17626233 23.85402479 -6.83239178 -3.94071550 1.16033614 Zr 22.55137041 22.30875267 25.65300231 0.57545661 0.68934155 7.69315580 Zr 23.95834710 20.95774659 23.91852158 0.28478234 -9.63045242 1.40827977 Zr 25.45789336 22.13222229 25.27041603 4.97983245 2.64236857 4.56213442 Zr 21.19178619 24.17895518 24.38214777 -8.62774733 -0.85274322 -0.68310188 Zr 22.88675322 25.53253581 25.64904689 -3.66598670 5.26351171 5.58120334 Zr 23.78091226 24.10609294 23.89985323 5.40411423 -3.77867969 3.27782492 Zr 25.30598025 25.32157598 25.51361598 6.70763475 0.95622215 1.96979747