32 Lattice="8.586787611399924 0.0 0.0 0.0 8.586787611399924 0.0 0.0 0.0 8.586787611399924" Properties=species:S:1:pos:R:3:forces:R:3 energy=-158.41904919525422 stress="-0.01065794743189095 -1.780948131347761e-05 0.0003240400198756705 -1.780948131347761e-05 -0.01119091464758307 -0.00011637945953176966 0.0003240400198756705 -0.00011637945953176966 -0.011613882407279355" free_energy=-158.41904919525422 pbc="F F F" Zr 0.02643055 0.03243262 0.03508271 0.55697805 0.51433638 0.55929890 Zr 2.16025178 2.10166767 0.03586647 -0.23996048 0.26170231 -1.52475372 Zr 2.17759059 0.01770063 2.12058029 -0.58602871 -1.47612963 0.27993458 Zr 0.01251658 2.18188698 2.08988152 -1.16712888 -0.52138035 0.32022299 Zr 4.28565517 0.01399860 0.06313096 0.24121964 -0.09512924 -0.41613192 Zr 6.46752424 2.17770672 0.02936122 -0.30094459 -0.03188617 0.14190480 Zr 6.38418319 0.04232288 2.14622853 0.32932470 -0.12361343 0.07590197 Zr 4.26463905 2.10042916 2.18569065 0.59951130 0.56096499 -0.30866261 Zr 0.01840809 4.30734241 0.03618319 0.04793032 -0.10703286 -0.08381657 Zr 2.10904758 6.37929171 0.00952631 0.23416186 0.00226155 0.22419909 Zr 2.18379704 4.25224878 2.18839035 -0.21803200 0.31583156 -0.41279802 Zr 0.01526083 6.39031509 2.18791915 -0.02975445 0.09085144 -0.18747977 Zr 4.26656502 4.26262805 0.03277073 0.52129376 0.42060121 -0.99182863 Zr 6.45676552 6.47238887 0.01092509 -0.98338808 -1.02579839 1.00571590 Zr 6.45160200 4.27546067 2.15714614 0.83030851 0.52841597 -0.34673745 Zr 4.28782286 6.46586067 2.17311700 0.37751725 0.87133471 -0.49925645 Zr 0.07802133 0.00807514 4.31685873 -0.12268027 -0.03307851 -0.35733250 Zr 2.16257293 2.11306125 4.32124330 -0.36939456 0.27207886 -0.25792519 Zr 2.16002776 0.03817451 6.44370784 0.04176771 -0.24367820 0.20001259 Zr 0.03093605 2.15138842 6.37372805 -0.18958645 0.09650094 0.28121636 Zr 4.30726406 0.03291770 4.30896725 0.34980350 -1.48170740 0.42153507 Zr 6.44871165 2.18601298 4.28280034 1.13710650 -0.47118513 0.44242024 Zr 6.47930470 0.01023885 6.45708047 -0.96275290 1.00519878 -0.93765087 Zr 4.25242254 2.15861206 6.40926475 0.79501622 -0.20864802 1.41008659 Zr 0.00184965 4.26462656 4.25539018 -1.07593126 0.26059663 0.55791673 Zr 2.14050548 6.40206705 4.26230441 -0.21716079 1.22663015 0.65529261 Zr 2.15065686 4.29569106 6.46100786 -0.25033415 0.37883424 0.93873088 Zr 0.01951360 6.40450389 6.48012092 0.83225214 -0.84013217 -0.94645458 Zr 4.29978594 4.29710508 4.30706038 0.37989952 0.39624653 0.18159890 Zr 6.47299071 6.47625977 4.24251010 -0.39853339 -0.45867049 0.20182040 Zr 6.45280720 4.26525974 6.42822081 -0.32242746 0.27075629 -0.25108521 Zr 4.28140301 6.46561109 6.42193151 0.15994745 -0.35507256 -0.37589511