32 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=593.5664566232812 stress="-1969.4804201855995 35.47539075413516 -62.4573786502981 35.47539075413516 -1877.7376329867639 10.49178617436064 -62.4573786502981 10.49178617436064 -2000.0247124521331" pbc="F F F" Zr -0.14459490 0.11115480 0.11044915 -35.84738915 -39.80303303 -46.94791017 Zr 1.70960170 1.34512630 -0.16166483 -19.77179825 23.81129228 -60.50195822 Zr 1.31428531 -0.16490224 1.36371066 -6.26608585 -55.71821594 30.56858623 Zr -0.22187219 1.48254321 1.23417995 -51.56634261 13.93431377 10.39874116 Zr 2.63239121 -0.04105180 0.20259391 35.95063875 -64.07898129 -39.32828139 Zr 4.56504129 0.91044416 -0.13449789 28.95238990 6.55711695 -40.32580751 Zr 4.28802619 0.22277084 1.68584377 38.55315011 -93.06276912 -55.38676913 Zr 3.18362810 1.69581920 1.64685009 -35.44942412 -54.67424126 -14.56034869 Zr 0.26959405 3.17626233 -0.14597521 -44.34891441 -5.06385219 -56.55864712 Zr 1.70996341 4.49207130 0.15300231 -27.72562237 80.56587190 -69.66058451 Zr 1.53848316 2.95774659 1.41852158 -36.12185557 -32.51143418 2.47380701 Zr -0.04210664 4.38825682 1.56916429 -52.01619806 68.34637918 -19.20321425 Zr 2.96469590 3.17895518 0.29140871 16.59515913 -28.07285066 -130.49778509 Zr 4.61455359 4.53253581 0.14904689 35.08949201 38.60958025 -31.32908317 Zr 4.28091226 2.98699481 1.32740656 124.98812717 -4.79775668 -20.26451748 Zr 2.80598025 4.32157598 1.51361598 22.99736050 116.37275480 28.60447884 Zr -0.14801295 -0.02432459 3.12165461 -64.81547158 -47.07936053 -24.97822457 Zr 1.18391079 1.27846858 2.97644859 28.29930500 14.66176916 4.07854398 Zr 1.26128685 -0.15859300 4.31668137 24.39037478 -56.56090410 45.33432920 Zr -0.08013605 1.24396547 4.59073906 -38.63893126 29.77633164 49.51135596 Zr 3.27219963 -0.06618674 3.13132919 -37.78695223 -63.76318230 14.80291014 Zr 4.75978669 1.22592512 2.78504734 87.02585500 45.41348599 52.87456166 Zr 4.68365717 0.20288723 4.58343331 41.91850477 -24.84131276 36.76766673 Zr 2.99655606 1.15152413 4.72094491 -14.38130098 23.30383854 42.04295509 Zr 0.23171545 3.18190327 2.72268664 -70.32610466 -27.94376139 36.29859022 Zr 1.71219253 4.42485375 3.12784212 -11.43977011 81.40277798 -8.41919707 Zr 1.28220450 3.28278197 4.56210000 20.70593408 -80.94702613 57.76778598 Zr 0.13362859 4.32702941 4.57034430 -77.48376322 63.92462812 31.66387502 Zr 3.33039712 3.05473499 2.91561068 -25.83669098 -19.78771225 33.06898450 Zr 4.63661615 4.40480033 2.88720696 53.96837191 65.25703121 2.58943798 Zr 4.29869006 3.11041876 4.26735611 65.67997521 -27.34500412 76.18433785 Zr 2.83533445 4.24148635 4.58611608 24.70797707 54.11422615 62.93138084