500 Lattice="20.16392311001529 0.0 0.0 0.0 20.16392311001529 0.0 0.0 0.0 20.16392311001529" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3591.7410235506986 stress="-27.40169187059437 -0.8993494000079529 0.07532638083191046 -0.8993494000079529 -26.48240727888134 0.23421905566129908 0.07532638083191046 0.23421905566129908 -26.126456048250144" pbc="F F F" Ta 0.02041118 -0.03196149 -0.00188505 2.13747846 1.98644852 1.94925795 Ta 2.03920171 2.02939841 -0.02006268 -0.57030500 -0.64233023 0.00140164 Ta 2.02863984 -0.00226098 1.99895009 -0.53248406 0.29825849 -0.44032472 Ta -0.02222959 2.01018806 1.99115164 0.20528788 -0.72488489 -0.34176417 Ta 4.00264963 -0.03655260 -0.03432215 -0.21105715 1.35367385 1.36597802 Ta 6.08369230 2.00223036 -0.00946855 -0.39564133 -0.55401781 -0.25038866 Ta 6.07206991 -0.01175682 1.97630439 -0.19224038 0.05015790 -0.36497024 Ta 4.03746791 2.05484941 2.01102606 -0.05268667 -1.02844546 -0.54744045 Ta 8.06673162 0.03741439 -0.02826484 0.09251143 1.09632467 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