16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-77.5291495929113 stress="-0.00037893654361607063 -1.7884783759147355e-05 -0.0001383747824119895 -1.7884783759147355e-05 -0.0003303910804701098 -4.690405093558962e-05 -0.0001383747824119895 -4.690405093558962e-05 -0.0003485187945967439" free_energy=-77.5291495929113 pbc="F F F" Ta 20.91986395 20.74396547 20.97164093 1.26017076 1.08102215 0.87167850 Ta 22.77219963 22.43381326 22.63132919 -3.35194361 -2.44698769 -3.43945113 Ta 24.25978669 20.72592512 20.78504734 -0.93461442 1.07128726 0.95305309 Ta 25.68365717 22.70288723 22.44479990 4.72955285 -2.03931648 0.92090799 Ta 20.79585403 23.94809454 21.27930026 0.31425042 -1.22619010 -0.44137594 Ta 22.73171545 25.68190327 22.06829135 -3.13336254 1.80318810 1.74038135 Ta 24.21219253 23.92485375 21.12990665 -1.79574509 -0.92583366 -6.71403086 Ta 25.28220450 25.78278197 22.54403431 2.86422222 1.86499855 0.30564744 Ta 21.13362859 20.82702941 24.07034430 -1.03903594 -1.63939089 -1.28727402 Ta 22.54852473 22.47475364 25.41561068 1.55986899 0.08293923 3.78505727 Ta 24.33731818 20.90480033 23.87719504 -1.24980465 -4.16584163 -1.46753948 Ta 25.29869006 22.61041876 25.26735611 2.82859527 1.20223835 3.34137738 Ta 20.83533445 23.74148635 24.08611608 -1.90464432 1.22128677 -1.53645277 Ta 22.53369179 25.52598936 25.22329650 -0.87885414 0.75676723 0.11652302 Ta 23.96375436 23.90583543 23.75559716 -1.37373965 2.28530250 1.14462006 Ta 25.20178472 25.50217785 25.27290972 2.10508385 1.07453029 1.70687810