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=593.5664566558469 stress="-1969.4805134351898 35.475354962531014 -62.45741665988652 35.475354962531014 -1877.737690618827 10.491720169615519 -62.45741665988652 10.491720169615519 -2000.0247520913422" pbc="F F F" Zr -0.14459490 0.11115480 0.11044915 -35.84738068 -39.80303408 -46.94791047 Zr 1.70960170 1.34512630 -0.16166483 -19.77184483 23.81129764 -60.50195831 Zr 1.31428531 -0.16490224 1.36371066 -6.26610568 -55.71822886 30.56857686 Zr -0.22187219 1.48254321 1.23417995 -51.56634837 13.93431135 10.39872484 Zr 2.63239121 -0.04105180 0.20259391 35.95063483 -64.07897443 -39.32828631 Zr 4.56504129 0.91044416 -0.13449789 28.95239422 6.55712239 -40.32579999 Zr 4.28802619 0.22277084 1.68584377 38.55317448 -93.06279846 -55.38677163 Zr 3.18362810 1.69581920 1.64685009 -35.44940456 -54.67424351 -14.56034110 Zr 0.26959405 3.17626233 -0.14597521 -44.34891175 -5.06386525 -56.55864844 Zr 1.70996341 4.49207130 0.15300231 -27.72560791 80.56586316 -69.66057453 Zr 1.53848316 2.95774659 1.41852158 -36.12184424 -32.51142463 2.47380345 Zr -0.04210664 4.38825682 1.56916429 -52.01619096 68.34636998 -19.20320091 Zr 2.96469590 3.17895518 0.29140871 16.59515040 -28.07285555 -130.49778005 Zr 4.61455359 4.53253581 0.14904689 35.08949763 38.60958414 -31.32908827 Zr 4.28091226 2.98699481 1.32740656 124.98811743 -4.79772662 -20.26453247 Zr 2.80598025 4.32157598 1.51361598 22.99735785 116.37275761 28.60448142 Zr -0.14801295 -0.02432459 3.12165461 -64.81548706 -47.07936371 -24.97822958 Zr 1.18391079 1.27846858 2.97644859 28.29927780 14.66178503 4.07853005 Zr 1.26128685 -0.15859300 4.31668137 24.39036723 -56.56090400 45.33433193 Zr -0.08013605 1.24396547 4.59073906 -38.63892172 29.77634341 49.51135695 Zr 3.27219963 -0.06618674 3.13132919 -37.78691481 -63.76320316 14.80292068 Zr 4.75978669 1.22592512 2.78504734 87.02586122 45.41348428 52.87454852 Zr 4.68365717 0.20288723 4.58343331 41.91851080 -24.84131835 36.76767532 Zr 2.99655606 1.15152413 4.72094491 -14.38130655 23.30385119 42.04295853 Zr 0.23171545 3.18190327 2.72268664 -70.32608654 -27.94375397 36.29859506 Zr 1.71219253 4.42485375 3.12784212 -11.43975519 81.40276336 -8.41919423 Zr 1.28220450 3.28278197 4.56210000 20.70592784 -80.94701269 57.76780114 Zr 0.13362859 4.32702941 4.57034430 -77.48376687 63.92462119 31.66386230 Zr 3.33039712 3.05473499 2.91561068 -25.83669840 -19.78770303 33.06899112 Zr 4.63661615 4.40480033 2.88720696 53.96835834 65.25702942 2.58944169 Zr 4.29869006 3.11041876 4.26735611 65.67996836 -27.34499353 76.18433795 Zr 2.83533445 4.24148635 4.58611608 24.70797768 54.11421968 62.93137847