32 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=330.49258903441745 stress="-0.017731222804320847 0.003886746626861968 -0.0017130526789089708 0.003886746626861968 -0.02188533202186127 -0.002234638874523029 -0.0017130526789089708 -0.002234638874523029 -0.019728718706276675" free_energy=330.49258903441745 pbc="F F F" Ta 21.08942344 21.16889315 21.06861805 -11.98247035 -43.45581911 -27.78898071 Ta 21.94563698 22.78991822 20.79734010 69.05057854 -133.79378020 -28.67189539 Ta 22.70384132 20.80483405 22.40126302 5.81429671 -0.01447241 -5.17905399 Ta 20.80495125 22.75551247 22.47810371 -8.62478875 16.06501178 9.51766930 Ta 23.94777620 21.06482696 20.84620060 1.89601438 -22.76524918 -7.17093781 Ta 25.51821382 22.15872938 20.96963223 16.90518824 22.08684102 -22.08564828 Ta 25.50268088 20.95132678 22.36465383 28.49467758 -42.54762302 5.90376110 Ta 23.73049600 22.62036030 22.45631248 62.96607020 -26.21434559 -72.32021962 Ta 21.24843919 24.14432661 20.76023492 -94.16137423 137.64283040 -12.68140490 Ta 22.99254705 25.62722580 21.19019325 -102.68343810 106.72462987 -77.58588469 Ta 22.82815389 24.10881314 22.63250256 -211.76584555 0.68210455 -92.96902351 Ta 21.10031152 25.31260665 22.35431870 -72.27613061 88.32248442 -106.36783586 Ta 23.78011711 24.22691772 21.05791531 14.31128836 -146.41643343 -43.90991582 Ta 25.03028373 25.43765602 21.25095930 84.98439351 34.62216028 -63.97843854 Ta 25.50693356 24.16501753 22.72580078 35.65521695 -106.95296623 -119.80299951 Ta 23.92866320 25.68883157 22.49955875 56.50985107 114.95911283 140.63333985 Ta 21.04313966 20.94832183 24.25980354 7.35733962 -118.52599857 -96.52804555 Ta 22.46667242 22.60322065 23.90295338 -78.07618945 12.61809861 -9.59270225 Ta 22.60338854 21.24759167 25.61018303 -58.63980925 -75.62935430 20.56511975 Ta 20.92518197 22.12987303 25.24894900 -40.02563032 123.95694548 103.18226552 Ta 23.94857885 21.18843096 24.13552269 6.50107501 -116.67633519 43.96943133 Ta 25.55430183 22.59126101 23.99161119 69.02285590 11.79053613 8.28880695 Ta 25.53851086 21.14982991 25.20001394 1.42995191 -18.35479872 -30.64058039 Ta 23.82929456 22.28747849 25.39476746 76.38717747 116.79950414 91.64456512 Ta 20.87993804 24.40688986 23.66465296 23.49512502 -20.04307537 56.19209920 Ta 22.65910137 25.37675974 23.74043110 -1.37715676 -3.23535773 25.21277805 Ta 22.78460712 23.75346517 25.26772449 -14.42427487 -25.19399674 21.52623757 Ta 21.00928554 24.99309596 25.43198894 -6.02806595 12.64673765 28.51243733 Ta 23.82743118 23.79546282 23.70940621 122.58684027 -21.07513614 122.15411998 Ta 25.37961659 25.22956938 23.83885520 10.94708674 116.28485838 93.71531162 Ta 25.71798294 24.42114813 25.56417678 22.74198857 -16.52927488 23.64707681 Ta 24.07812605 25.40386338 25.37901906 -16.99184187 22.22216125 22.60854732