64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=4014850155.2449317 stress="-113910.1797573307 -167689.32093655912 -139175.54789189616 -167689.32093655912 -252434.51578451286 -204134.72160340322 -139175.54789189616 -204134.72160340322 -170148.0967707691" free_energy=4014850155.2449317 pbc="F F F" Zr 34.86192565 35.44703219 34.56629489 -1.73887957 0.98008260 -1.65083560 Nb 36.48604466 35.68908606 35.66534197 -5617191.25528249 8678172.59020906 -6611698.46483884 Nb 37.73591902 37.66819221 35.18090577 -27016594640.61922836 -46927941336.76882172 -32028109749.84632492 Nb 38.32401960 38.68972545 35.87809763 27016567137.75601959 46927924765.03907013 32028122737.25631332 Nb 37.22959762 34.54034820 36.54053903 5617189.10534505 -8678171.63188546 6611702.18142196 Zr 39.29043590 35.77344882 37.99808921 -14.21417881 -16.99855165 14.55864476 Zr 34.65243514 38.18691019 37.18534675 0.81548861 -0.10069864 -1.58394243 Nb 36.95665637 39.22918468 38.99199169 3.87841329 2.39482058 4.45473708 Nb 39.56162467 35.11492490 34.67766366 -5.40882959 0.55640247 -4.97273087 Zr 40.62074833 35.32848118 36.05815889 7.24354876 -6.52936083 -3.54077978 Zr 42.22415152 37.69765119 34.98830164 -1.67499280 -1.06114253 -2.15099236 Zr 43.27268732 38.35509052 37.02530931 7.05387109 0.97213647 -2.21137522 Zr 42.38577851 35.02150129 37.62746184 0.56425164 -5.95868788 0.15143011 Nb 43.13420150 36.56329724 38.38737596 3.98802478 -0.31728461 1.43503731 Zr 39.96315015 36.85759846 37.23052875 4.57303050 19.03785960 -10.76248980 Nb 41.12605148 38.14942807 38.34198264 -3.44890704 -1.29648291 1.97245287 Nb 35.54526739 39.60550229 34.83519762 8.58550364 -4.10389509 4.58824216 Zr 36.55033946 41.79396156 36.51871640 -1.84450387 3.04173768 -5.27685404 Nb 38.21213206 42.83798553 34.68573743 1.96726341 -6.57183739 1.08663152 Zr 38.34278153 43.52520729 36.31211832 0.19244325 3.45231201 1.48660859 Zr 36.87601320 39.92722666 37.08606385 -1.83042634 -1.77491811 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36.59598214 40.42543472 -7.85788445 -9.00752671 0.50428547 Nb 36.88366068 37.17474972 39.38382181 6.30397499 -4.57255727 -4.77533490 Zr 39.58613347 38.46356696 40.48787044 -3.52236280 -1.64980081 -3.65165310 Nb 37.43107148 34.98738149 42.06507195 0.80192975 -0.60581659 0.49054729 Zr 38.24179227 36.84515662 43.07936139 -4.79862629 -2.25331223 2.60437751 Nb 35.54530232 37.68784658 42.09682306 -3.10143222 0.30405563 0.48771569 Zr 36.35563819 38.75544787 43.65346842 -0.06373974 0.97711942 4.15233220 Zr 39.24036123 34.67162311 40.49871339 0.17934934 -0.43047479 0.09851919 Nb 41.29431430 36.19394280 41.39260925 3.57153458 -8.46201413 -0.59696010 Zr 42.45302470 37.85853404 40.15737550 3.17972189 1.65951368 3.37982688 Nb 43.69392488 39.31781892 42.17385964 74.64465430 -0.60795145 4.37266971 Nb 42.74419352 34.72301501 42.16838085 -1.72965230 2.60074683 -1.01704215 Nb 44.07594559 35.71222336 44.00986927 -0.90807975 0.19119726 -0.67176486 Zr 40.06991642 37.61960571 42.36669823 -9.27578170 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-0.21327251 Zr 43.08231529 39.32235991 42.13787081 -73.07691731 1.97728081 -3.86734770 Zr 44.03692136 41.12961096 43.94727734 -0.37722610 1.66468080 0.47424369 Zr 40.28169047 42.58469066 42.78515644 -13.02473477 5.80144659 8.60887977 Nb 41.80666127 43.81204809 43.87166200 3.07510247 2.64476834 2.40390284