108 Lattice="13.236263607880806 0.0 0.0 0.0 13.236263607880806 0.0 0.0 0.0 13.236263607880806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-594.7637841621506 stress="-0.0053601826802775745 3.335504999676082e-05 0.00019121394482935657 3.335504999676082e-05 -0.004729601806552672 6.826689193648569e-05 0.00019121394482935657 6.826689193648569e-05 -0.00506549188842727" free_energy=-594.7637841621506 pbc="F F F" Zr 0.00113981 0.02721806 0.02894828 0.56131972 0.58041726 0.63908157 Zr 2.19730162 2.20937230 0.01504970 -0.14238307 0.04591513 -0.25214262 Zr 2.19113120 0.03446035 2.24870878 0.03073908 -0.35938027 -0.24490307 Zr 0.00179893 2.26536633 2.24052580 -0.41374915 -0.37573164 -0.34363923 Zr 4.37473253 0.02015380 0.00933952 0.05262991 0.08808802 0.14537067 Zr 6.62641597 2.22028517 0.03206331 -0.16681099 -0.10847152 -0.75259123 Zr 6.64879084 0.03254951 2.16339708 -0.40142263 -0.61723416 0.30594788 Zr 4.40366147 2.19730124 2.17436978 -0.18076881 0.08966358 0.26297955 Zr 8.78808516 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4.38641857 0.03520857 0.21043811 0.08504151 Zr 2.18168264 2.24097867 4.39599596 0.36855840 -0.27802550 0.14578570 Zr 2.22054380 0.03105945 6.58845639 0.12041395 -0.44227097 0.06866432 Zr 0.03067887 2.17802828 6.65050551 -0.58016948 0.11899495 -0.13999322 Zr 4.45045613 0.01066705 4.43737579 -0.18697061 -0.23778901 -0.29439430 Zr 6.58794125 2.23691822 4.38752919 0.17104156 -0.14532205 0.16308780 Zr 6.59184288 0.00808418 6.62712150 0.45692234 -0.35971413 -0.12294572 Zr 4.45599878 2.23800524 6.63921828 -0.52051334 -0.21268987 -0.05934075 Zr 8.84441302 0.01974857 4.37152277 -0.12195051 -0.31886034 0.33521248 Zr 11.02489967 2.23061766 4.43205610 0.37505061 -0.12066473 -0.29705745 Zr 11.05773192 0.01095275 6.60209525 -0.41811661 0.20946111 0.08014454 Zr 8.82767252 2.24558957 6.61407966 0.08774022 -0.48184157 -0.14853429 Zr 0.00543557 4.39212250 4.43502671 -0.62442749 0.19720700 -0.10385155 Zr 2.19705808 6.66005171 4.42238525 -0.05222641 -0.16839637 -0.31417534 Zr 2.17885984 4.43352777 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0.23990642 0.00259368 0.14325633 Zr 4.42712304 2.17698824 11.05958763 -0.18104199 0.21185950 0.26857566 Zr 8.79473079 0.02866181 8.86329152 0.46047430 -0.39231451 -0.18876206 Zr 11.06657030 2.17944597 8.80484200 0.07087885 0.14152763 0.20524122 Zr 11.01886969 0.03827263 11.05362322 -0.51972594 0.51159947 -0.55869245 Zr 8.81783411 2.19970210 11.07366733 0.09143369 0.15638889 0.12730632 Zr 0.02785944 4.43490662 8.86020968 -0.39081290 -0.14397461 -0.13992680 Zr 2.19773180 6.64501980 8.88595860 0.06944538 -0.19061932 -0.18617773 Zr 2.18264038 4.40477117 11.04118261 0.19811623 -0.08980700 0.42983514 Zr 0.00252825 6.61555570 11.07137593 0.07522516 0.12541833 -0.20649084 Zr 4.36862721 4.37208492 8.86327122 0.03057054 0.13302472 -0.11043869 Zr 6.64415718 6.58039152 8.78215785 -0.07552665 0.12121558 0.19881499 Zr 6.61299864 4.45184051 11.04441422 0.21579097 -0.40542302 0.19300725 Zr 4.44930587 6.59063701 11.04728495 -0.34058445 0.22268768 0.26874904 Zr 8.82557305 4.38703315 8.78466578 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