64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=675.660672032102 pbc="F F F" Zr -0.06575743 -0.22804270 -0.18035374 40 -3.51123950 -3.05646598 -4.67709323 Zr 1.19151616 0.85433959 1.45438499 40 -261.86078017 128.02726836 -248.83294541 Zr 3.03349578 2.25991741 0.44694960 40 -8.90887683 -11.20003779 -11.65832731 Zr 3.32821758 3.96931066 1.37754235 40 212.10282851 -220.44885068 -103.40915006 Zr 2.00203356 0.38688112 2.08824509 40 295.27624609 -175.69700721 227.47368421 Zr 3.70893483 1.92167244 4.16374170 40 -7.67031309 -2.06232751 25.95106108 Zr 0.39797694 2.07686046 2.21306924 40 -32.68386569 41.38074249 20.86378871 Zr 0.32553143 3.85366495 3.68088263 40 1.37318308 -0.84039092 -2.25291220 Zr 4.43622510 0.71771084 -0.40265149 40 1.94624009 -8.05405500 -8.72760133 Zr 5.99652322 1.04839002 1.30253491 40 6.18798674 2.76444094 -9.88069811 Zr 7.58152960 2.71447334 0.24658626 40 -7.36036576 -7.02721321 -10.14581745 Zr 8.80641821 3.76445102 1.66078917 40 17.66187427 -2.15093881 7.05900721 Zr 7.30942029 -0.10798005 2.60886427 40 7.30452695 -6.72109070 5.95748835 Zr 8.97727391 1.07811650 4.31557255 40 1.71155368 -0.26003136 0.25176328 Zr 4.39720716 1.68639045 2.61838660 40 11.23543115 -3.74336064 -32.00077077 Zr 6.38755727 3.92159427 3.78078305 40 -41.24751338 71.31451221 -48.73182294 Zr -0.01489617 5.31291710 -0.03242816 40 -5.27469148 -4.68000833 -6.54675578 Zr 1.34411349 6.30836878 1.53301330 40 58.77227119 -34.77393250 -54.94603933 Zr 2.90134077 7.08661169 -0.09608267 40 2.36171651 2.22513718 -3.88563519 Zr 4.22344094 8.74219485 2.00767877 40 -32.28959427 46.08461783 -21.42551257 Zr 2.57309367 4.76146053 1.78488630 40 -211.93834245 213.68439533 120.64105168 Zr 3.98017916 5.74031399 3.46854281 40 -59.75904977 16.69573287 -68.08469432 Zr 0.39927955 7.04262288 2.34963249 40 -72.51440739 52.47242190 59.62708713 Zr 1.34648185 8.83988520 3.60994332 40 -5.71993420 9.62138484 -7.60169549 Zr 4.89788525 4.96156432 0.37855382 40 2.09440280 4.39739155 -16.27956814 Zr 6.78785265 5.37289911 1.38410044 40 -565.33745318 115.16667712 -1002.07437595 Zr 7.54448832 7.33960330 0.06399505 40 -7.00460019 -2.03657160 -8.22626781 Zr 9.04779019 8.23143875 1.44919299 40 6.94062012 4.55625709 6.42077495 Zr 7.24094169 5.28418864 2.17642769 40 572.75437317 -100.95027258 999.86254670 Zr 8.57585809 6.77406680 3.74653183 40 70.80611683 -23.31881416 -39.57025979 Zr 5.08161719 7.47978755 2.57452286 40 21.58327414 -48.06890633 -3.17126364 Zr 6.04328210 8.53144741 3.85470528 40 -1.07034542 33.26904826 10.37534578 Zr 0.16769640 -0.09280147 4.24962381 40 -1.29342952 -1.10466979 0.43995149 Zr 1.54763519 1.38920620 5.98960379 40 -78.80842778 -157.60781370 77.65886603 Zr 2.11367604 2.42006226 5.43518579 40 63.51229727 151.50177259 -75.71280612 Zr 4.13524851 3.33936349 5.96708575 40 13.50748193 0.78595327 4.89557290 Zr 3.29314985 -0.33075135 7.65261096 40 -2.30875129 -16.40238387 -6.02046642 Zr 3.64805873 1.58025993 8.31116041 40 -1.84475631 14.36892577 8.57737760 Zr -0.02791884 2.51646227 7.20782233 40 -20.54322902 -0.75889779 -8.59860406 Zr 1.29497458 3.11281229 8.59058637 40 12.40344887 6.69389549 14.65759050 Zr 5.80230297 0.01923310 4.99400789 40 -11.34115133 -14.59713422 -15.34446530 Zr 6.68378854 1.11570083 6.34312584 40 27.25990431 0.60738798 -23.72500058 Zr 6.97210072 2.80029802 4.48064125 40 44.43514624 -84.80175200 50.60212251 Zr 8.79353324 3.87432888 5.92062319 40 13.91819121 -11.87024718 -5.48429484 Zr 6.77020067 -0.06924364 8.05201413 40 2.10349657 -16.23397556 15.03628661 Zr 8.57327035 1.85672359 8.55163318 40 3.12962580 0.77688740 0.69738892 Zr 5.84360197 2.03869038 7.61802639 40 -40.16192404 -36.77170505 3.44939572 Zr 6.40630819 3.42536678 8.09564858 40 24.06816754 63.93985193 23.81733425 Zr -0.19317584 5.38561400 5.23601473 40 -32.81671139 -8.40704888 2.06139757 Zr 1.39987656 6.18847260 5.51807803 40 12.48777857 5.02543591 2.95446144 Zr 2.50643715 7.85024585 5.13455662 40 -53.31428048 -13.85107520 -37.03188675 Zr 3.74288613 8.28294846 5.89597878 40 65.68154693 29.96493655 42.54810520 Zr 2.81500170 5.01367019 6.78937733 40 -7.26886283 -4.32107517 -7.21425024 Zr 3.50774448 5.57162827 8.56797393 40 7.12205860 5.99919396 19.20004994 Zr 0.04782613 7.26412584 7.87106699 40 -13.89096722 -10.90050332 -3.36850314 Zr 1.64302964 8.46764102 8.28443823 40 14.87288844 10.08145529 3.37871803 Zr 4.83107463 5.39371286 4.63158770 40 45.52135096 -25.40805103 67.08580410 Zr 5.33958927 6.60503881 6.29488464 40 7.01207421 5.03237525 14.39647218 Zr 7.27391060 7.15640879 4.46045761 40 -60.24592779 -1.89933835 36.74887207 Zr 8.70186937 8.19835117 5.62713058 40 10.56800121 10.56311283 13.44585635 Zr 7.44862086 5.25786543 6.58687282 40 -12.53757181 11.92900062 4.32999431 Zr 9.05522242 5.53136280 8.31828782 40 2.43192302 0.88868726 3.26709424 Zr 5.37862879 8.12539468 8.36441647 40 -178.50586665 -347.27464745 -328.08138666 Zr 5.75709019 8.86107232 9.06109135 40 178.88520325 347.48169378 328.97855992