32 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=593.5664566558469 stress="-0.02658298932938112 0.0004788272724669522 -0.0008430166377805746 0.0004788272724669522 -0.025344694020878248 0.00014161159930911165 -0.0008430166377805746 0.00014161159930911165 -0.026995259044532694" pbc="F F F" Zr 20.85540510 21.11115480 21.11044915 -35.84738068 -39.80303408 -46.94791047 Zr 22.70960170 22.34512630 20.83833517 -19.77184483 23.81129764 -60.50195831 Zr 22.31428531 20.83509776 22.36371066 -6.26610568 -55.71822886 30.56857686 Zr 20.77812781 22.48254321 22.23417995 -51.56634837 13.93431135 10.39872484 Zr 23.63239121 20.95894820 21.20259391 35.95063483 -64.07897443 -39.32828631 Zr 25.56504129 21.91044416 20.86550211 28.95239422 6.55712239 -40.32579999 Zr 25.28802619 21.22277084 22.68584377 38.55317448 -93.06279846 -55.38677163 Zr 24.18362810 22.69581920 22.64685009 -35.44940456 -54.67424351 -14.56034110 Zr 21.26959405 24.17626233 20.85402479 -44.34891175 -5.06386525 -56.55864844 Zr 22.70996341 25.49207130 21.15300231 -27.72560791 80.56586316 -69.66057453 Zr 22.53848316 23.95774659 22.41852158 -36.12184424 -32.51142463 2.47380345 Zr 20.95789336 25.38825682 22.56916429 -52.01619096 68.34636998 -19.20320091 Zr 23.96469590 24.17895518 21.29140871 16.59515040 -28.07285555 -130.49778005 Zr 25.61455359 25.53253581 21.14904689 35.08949763 38.60958414 -31.32908827 Zr 25.28091226 23.98699481 22.32740656 124.98811743 -4.79772662 -20.26453247 Zr 23.80598025 25.32157598 22.51361598 22.99735785 116.37275761 28.60448142 Zr 20.85198705 20.97567541 24.12165461 -64.81548706 -47.07936371 -24.97822958 Zr 22.18391079 22.27846858 23.97644859 28.29927780 14.66178503 4.07853005 Zr 22.26128685 20.84140700 25.31668137 24.39036723 -56.56090400 45.33433193 Zr 20.91986395 22.24396547 25.59073906 -38.63892172 29.77634341 49.51135695 Zr 24.27219963 20.93381326 24.13132919 -37.78691481 -63.76320316 14.80292068 Zr 25.75978669 22.22592512 23.78504734 87.02586122 45.41348428 52.87454852 Zr 25.68365717 21.20288723 25.58343331 41.91851080 -24.84131835 36.76767532 Zr 23.99655606 22.15152413 25.72094491 -14.38130655 23.30385119 42.04295853 Zr 21.23171545 24.18190327 23.72268664 -70.32608654 -27.94375397 36.29859506 Zr 22.71219253 25.42485375 24.12784212 -11.43975519 81.40276336 -8.41919423 Zr 22.28220450 24.28278197 25.56210000 20.70592784 -80.94701269 57.76780114 Zr 21.13362859 25.32702941 25.57034430 -77.48376687 63.92462119 31.66386230 Zr 24.33039712 24.05473499 23.91561068 -25.83669840 -19.78770303 33.06899112 Zr 25.63661615 25.40480033 23.88720696 53.96835834 65.25702942 2.58944169 Zr 25.29869006 24.11041876 25.26735611 65.67996836 -27.34499353 76.18433795 Zr 23.83533445 25.24148635 25.58611608 24.70797768 54.11421968 62.93137847