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=474.67367734025987 stress="-0.01368398074815487 -0.0002108556355884489 0.0001421162144675901 -0.0002108556355884489 -0.012739070466007127 4.9158037417340005e-05 0.0001421162144675901 4.9158037417340005e-05 -0.014672766808327912" free_energy=474.67367734025987 pbc="F F F" Ta 20.81634348 20.92534241 20.98566276 -14.40727942 -16.01261561 -11.35568112 Ta 22.06789624 22.31148620 20.72051529 9.28323341 2.65222484 -24.68789223 Ta 22.69273990 20.80722932 22.26172667 -13.04906917 -46.79987428 -19.73994922 Ta 21.05332204 22.16152160 22.73110688 -44.05593252 14.45529007 -18.16965837 Ta 23.99816022 21.01283276 21.20071341 -9.28176786 -28.77230751 -45.16223676 Ta 25.32858036 22.64720807 21.08942344 22.68954335 15.59602502 -43.04258149 Ta 25.45706424 21.27559981 22.21321713 56.64759920 -47.36566590 -7.06504027 Ta 24.21736445 22.28604778 22.70384132 -13.67389698 18.06765244 -32.73665223 Ta 20.79224623 23.73214964 21.00041025 -16.67893034 8.14384319 -11.47286297 Ta 22.49566138 25.35444624 20.99188881 -2.82363819 17.90452451 -10.73421117 Ta 22.49681590 23.84620060 22.51821382 -0.86324052 10.75428812 -20.38887879 Ta 20.70575425 25.46963223 22.65586213 -23.10278949 19.42707421 -21.45882748 Ta 23.73138664 23.83226600 20.73049600 6.55148036 4.23220043 -23.77520153 Ta 25.62036030 25.45631248 21.24843919 7.33768683 6.84861253 -16.19355113 Ta 25.64432661 23.76023492 22.74849743 46.54588214 18.83164398 -19.39703301 Ta 24.25911890 25.69019325 22.69877714 -17.21214712 24.55832638 -13.76146117 Ta 21.10881314 21.13250256 23.89577433 -46.27003856 -39.44269461 10.36626317 Ta 22.55442580 22.06372491 23.78011711 -16.66895587 27.68324772 17.08477274 Ta 22.75466069 21.05791531 25.23387496 -6.30073501 -31.88552333 46.74617739 Ta 21.08501927 22.29560327 25.50693356 -15.43851764 13.29692609 25.48571987 Ta 24.00387272 21.22580078 23.92866320 20.16478697 -75.35172857 19.03334106 Ta 25.68883157 22.53882694 24.04313966 59.32080219 -3.59986972 14.52313990 Ta 25.44832183 21.25980354 25.46667242 26.34162977 -28.93872557 21.73956650 Ta 24.27143892 22.40295338 25.60338854 -10.56600154 15.40602808 45.92984531 Ta 21.24759167 24.34028347 23.92518197 -37.04059391 -31.31806484 11.18644071 Ta 22.24663523 25.48702489 24.04424574 28.13978297 44.64053304 0.23369936 Ta 22.81372078 24.17061300 25.79169807 -8.57392333 -15.58591524 22.94079298 Ta 20.96863002 25.44630638 25.53851086 -18.14350420 11.01174413 26.49691890 Ta 24.14982991 23.74795387 23.82929456 -16.74086362 34.95068324 27.75173776 Ta 25.28747849 25.39476746 23.87993804 21.46947045 25.37741907 22.57857081 Ta 25.78095696 23.82464588 25.76008946 13.65085031 12.32403801 15.37205435 Ta 23.87675974 25.32230465 25.78460712 12.74907732 18.91066010 11.67267812