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=-49.101486655727186 stress="-125.303454651322 13.166866034895698 -7.843608970228054 13.166866034895698 -107.26564755124345 -21.07584943917773 -7.843608970228054 -21.07584943917773 -118.74771685695441" pbc="F F F" Zr -0.08129564 0.04860922 0.20118821 -2.18795803 -0.95224500 -2.02294788 Zr 1.70960170 1.31143450 1.33833517 -10.05247463 12.46075386 0.77098631 Zr 2.78829595 -0.16490224 0.14041416 7.11631018 -10.99074656 -9.92877292 Zr 4.27812781 1.79098848 1.26215777 9.53894592 -5.17378722 1.57134606 Zr -0.12320595 3.09027739 0.20259391 -6.59020483 -2.80652304 -3.91446129 Zr 1.56504129 4.20865944 1.36550211 -16.98403753 23.63337854 9.63103978 Zr 2.78802619 3.22277084 0.18584377 11.85743501 -6.74923994 -23.08204334 Zr 4.40955323 4.48086654 1.83050726 4.11479259 4.07031709 -0.93443520 Zr 0.26959405 0.17626233 2.85402479 -4.94927364 -2.48629088 3.63064569 Zr 1.91285063 1.57550460 4.65300231 -1.92213358 -1.62454394 5.08734803 Zr 2.83433719 -0.04225341 2.86661612 4.92581757 -7.92749478 5.48045302 Zr 4.45789336 1.60920173 4.27041603 3.38656180 -1.32393028 1.40227412 Zr 0.19178619 3.41067064 3.47331198 -16.08445839 -10.96297553 -10.79265748 Zr 1.43638857 4.53253581 4.64904689 11.66807167 12.53355683 12.86038486 Zr 2.78091226 3.10609294 2.96603997 5.37656995 -3.28016846 8.59154758 Zr 4.51817278 4.24642973 4.64352264 0.78603594 1.57993929 1.64929266