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=333.8551641574558 stress="-1058.3374376997795 13.326040900236222 -46.72490565526331 13.326040900236222 -1006.6401748315672 -44.82347743613923 -46.72490565526331 -44.82347743613923 -1067.1456201413703" pbc="F F F" Zr -0.14459490 0.11115480 0.11044915 -12.20036225 -40.78245737 -31.32123967 Zr 1.70960170 1.31143450 -0.16166483 -8.17222317 12.00550338 -27.68117438 Zr 1.32198775 -0.16490224 1.66640352 2.98233102 -35.66409204 -19.06993756 Zr -0.22187219 1.51878885 1.05164101 -26.01250202 22.81049454 28.40564350 Zr 2.84054841 -0.04105180 0.20259391 8.67170747 -35.75631963 -13.95314592 Zr 4.56504129 1.11449487 -0.13449789 20.47701913 -0.00672375 -23.48971349 Zr 4.28802619 0.22277084 1.68584377 13.85780734 -67.46099141 -57.81197697 Zr 3.18362810 1.69581920 1.40244725 -30.22320076 -30.11222496 2.51342118 Zr 0.26959405 2.87804706 -0.14597521 -10.27421604 5.01882635 -31.14821467 Zr 1.70996341 4.49207130 0.15300231 -13.66473132 26.06349985 -40.19993473 Zr 1.53848316 2.95774659 1.71726984 -10.79578794 -24.53480572 -12.39729687 Zr -0.04210664 4.38825682 1.04332575 -25.08655444 22.77246376 0.62551468 Zr 3.19178619 3.17895518 0.29140871 -23.41517784 -8.97565261 -92.98937633 Zr 4.61455359 4.53253581 0.14904689 18.80202575 18.16672370 -14.14433242 Zr 4.28091226 2.98699481 1.46603997 88.16127342 14.17302811 28.10819869 Zr 2.80598025 4.32157598 1.51361598 13.95028098 61.78274018 26.18288818 Zr -0.14801295 -0.02432459 2.92466586 -33.20765192 -14.92590262 0.91507495 Zr 1.49580977 1.02492495 2.97644859 5.57077400 32.44344094 -0.12943414 Zr 1.26128685 -0.15859300 4.31668137 0.05617070 -33.24801154 33.23490835 Zr -0.08013605 1.44466750 4.59073906 -17.99280404 4.76827087 14.24959406 Zr 3.27219963 -0.06618674 3.13132919 -11.71613990 -27.02427586 18.01236826 Zr 4.75978669 1.22592512 2.78504734 47.19625522 44.67906364 52.48259124 Zr 4.68365717 -0.09368319 4.58343331 10.86214517 -7.63433113 15.12304829 Zr 2.69670569 1.44603001 4.72094491 5.24871994 0.13645287 22.70620309 Zr 0.23171545 3.46377566 2.83184690 -53.43984769 -11.57975276 1.50974543 Zr 1.71219253 4.42485375 3.12990665 2.09459045 53.07131080 -9.61163697 Zr 1.28220450 3.28278197 4.56210000 32.50466247 -65.22150579 31.20530442 Zr 0.13362859 4.32702941 4.57034430 -68.65884100 60.66299235 20.23092828 Zr 3.03305812 3.05473499 2.91561068 -0.39181432 -18.85667668 14.71187791 Zr 4.63661615 4.40480033 2.97889625 24.67735601 29.97197323 -5.21556470 Zr 4.29869006 3.11041876 4.26735611 32.41195247 -18.12734493 33.15635338 Zr 2.83533445 4.24148635 4.58611608 17.72678309 31.38428427 35.78931491