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=-40.31263881217709 stress="-0.002104224914087109 9.143739470112461e-05 1.690168247376497e-05 9.143739470112461e-05 -0.0016135399648966873 -0.0003982369649522734 1.690168247376497e-05 -0.0003982369649522734 -0.0017760391097695195" pbc="F F F"
Zr      20.85540510      21.11115480      21.11044915      -4.53237793      -3.61808210      -3.55388878 
Zr      22.70960170      22.31143450      22.19032222      -9.22293804       8.76367255       5.94429344 
Zr      23.78829595      20.83509776      21.14041416       6.67593846     -14.27918175     -11.82894277 
Zr      25.27812781      22.49446427      22.39164379      11.99476231       1.47059047      -0.95510257 
Zr      20.87679405      23.89640262      21.20259391      -7.05572267      -0.24644309      -3.81927372 
Zr      22.56504129      25.20865944      22.36550211     -17.39022769      23.92061620       8.67732981 
Zr      23.78802619      24.22277084      21.18584377      15.64586918      -7.09334329     -24.28440670 
Zr      25.46209668      25.69033349      22.48811829       4.06994202       3.13313559       0.73979960 
Zr      21.26959405      21.17626233      23.85402479      -7.58296834      -4.63788884       1.04487927 
Zr      22.55137041      22.30875267      25.65300231       0.96092167       0.96478550       8.24005723 
Zr      23.95834710      20.95774659      23.91852158      -0.90826549     -11.20472015       0.69664126 
Zr      25.45789336      22.13222229      25.27041603       6.06796605       3.74184205       5.54407226 
Zr      21.19178619      24.17895518      24.38214777      -9.06182845      -0.96689531      -0.70975794 
Zr      22.88675322      25.53253581      25.64904689      -4.56344659       6.11086638       6.80279081 
Zr      23.78091226      24.10609294      23.89985323       7.85877657      -6.90986418       6.01631347 
Zr      25.30598025      25.45290517      25.51361598       7.04359894       0.85090996       1.44519534