256 Lattice="16.24632191587807 0.0 0.0 0.0 16.24632191587807 0.0 0.0 0.0 16.24632191587807" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1816.8331583928532 stress="-0.0035434063746389776 -0.00043822196293800335 -0.00031321157493247834 -0.00043822196293800335 -0.0036344982020534516 0.0004995628177145256 -0.00031321157493247834 0.0004995628177145256 -0.003431223182824729" free_energy=-1816.8331583928532 pbc="F F F" Ta 0.01958402 0.02806229 0.00912886 0.54697695 0.59068033 0.63800497 Ta 2.01146409 2.08677520 0.01944558 0.30106496 -0.04959152 -0.02945546 Ta 1.99491522 0.03508344 2.02515945 0.39794896 -0.08096417 0.01003857 Ta 0.01165884 2.01578732 2.02673128 -0.14441864 0.47881740 0.23012516 Ta 4.09858896 0.02032620 0.03360960 -0.16414221 0.44542917 0.42808703 Ta 6.12110965 2.06792350 0.01517999 0.06852590 -0.07050197 -0.18740184 Ta 6.17224761 0.03302567 2.03924726 -0.17853898 -0.22969538 0.06833560 Ta 4.07604914 2.02842102 2.02878477 -0.19651878 -0.24922532 -0.15453708 Ta 8.14731635 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2.05874953 12.19095650 2.03400596 -0.24147355 0.14876904 -0.21068836 Ta 0.02195694 14.18059412 2.04210623 0.20809688 -0.31241392 0.36910021 Ta 4.07253550 12.14941712 0.02795028 -0.21501875 0.04761906 -0.11628721 Ta 6.07447587 14.18385651 0.03351355 0.05041007 -0.30677293 0.28330509 Ta 6.07212526 12.14786120 2.05926009 0.22987765 0.38861273 -0.37670913 Ta 4.10008575 14.19416611 2.08725150 -0.17904616 0.31282786 -0.15967484 Ta 8.14979483 12.22428973 0.03523049 -0.25940261 -0.33466064 -0.19074167 Ta 10.11788407 14.20006081 0.04016690 0.24712401 -0.19966246 0.31666171 Ta 10.16211459 12.16305861 1.99217872 0.15305265 0.36895697 0.15180650 Ta 8.08622962 14.23661300 2.05252754 0.03135095 0.04029639 0.13077642 Ta 12.16083921 12.15092358 0.01241470 0.01393501 0.05679499 -0.12903447 Ta 14.21180162 14.22280038 0.03653044 -0.63827518 -0.69468347 0.74116637 Ta 14.22461193 12.15442948 2.02670709 -0.00125306 -0.09508837 0.16237600 Ta 12.19842909 14.16379964 2.03854854 -0.21269254 0.05937496 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