32 Lattice="7.697809736663244 0.0 0.0 0.0 7.697809736663244 0.0 0.0 0.0 7.697809736663244" Properties=species:S:1:pos:R:3:forces:R:3 energy=-199.17318213475676 stress="-0.02454116846236509 0.0002285951667567804 0.0020464764873077248 0.0002285951667567804 -0.02649787198337482 -0.00019765227616548716 0.0020464764873077248 -0.00019765227616548716 -0.026537300697027165" free_energy=-199.17318213475676 pbc="F F F" Ta 0.00706838 0.01594130 0.00203882 1.44143062 1.47090556 1.39697772 Ta 1.94051950 1.92197790 0.03011413 -0.61806032 -0.26628176 -2.43016319 Ta 1.94086959 0.00842450 1.90798291 -0.64723216 -2.12520931 -0.05160785 Ta 0.02038577 1.92500136 1.94586051 -2.00420156 -0.47882835 -0.41486674 Ta 3.83919652 0.04677240 0.01363263 -0.22931699 -0.52035558 -0.39828827 Ta 5.75286732 1.93848405 0.03348323 0.14529394 0.65505913 -0.18489243 Ta 5.77496483 0.04577695 1.93155998 0.12679204 -0.20039552 0.48354946 Ta 3.82756546 1.89590810 1.91564834 0.76431749 0.66014414 0.36177918 Ta 0.03904820 3.83586846 0.03485774 -0.28454790 -0.43451025 -0.14808622 Ta 1.88937463 5.76999717 0.00436534 0.60840617 0.05205090 0.05655746 Ta 1.95175199 3.82363086 1.91081067 -0.54616232 0.81203086 0.46360784 Ta 0.00283469 5.78747786 1.91844971 0.38134749 -0.33665176 0.70116709 Ta 3.81313848 3.84771175 0.01580878 0.71378089 0.40087592 -1.93518217 Ta 5.76552428 5.78316859 0.03379672 -1.44645549 -1.49350010 1.44149252 Ta 5.80000996 3.86600494 1.93187875 1.31967113 -0.07442268 -0.31676735 Ta 3.82585195 5.76818755 1.93338080 0.24200363 1.85055049 -0.19737287 Ta 0.04287152 0.00999329 3.86571181 -0.28916729 -0.47761289 -0.70822210 Ta 1.89816245 1.90703757 3.87999755 0.76542516 0.26939168 -0.38415917 Ta 1.96072196 0.05440615 5.76278628 0.63985126 -0.58216927 0.59472947 Ta 0.02483393 1.88881412 5.74870763 -0.59994120 0.76638950 0.51932430 Ta 3.82659902 0.02592859 3.82110856 0.57909876 -2.03114064 0.59603451 Ta 5.74908747 1.94085062 3.86088172 2.00160757 -0.35904312 0.01614825 Ta 5.76735403 0.01022753 5.79615903 -1.61377269 1.47510497 -1.59303276 Ta 3.87816889 1.94277810 5.78688360 0.01834271 -0.39698013 1.81480367 Ta 0.03491619 3.81513647 3.83326063 -2.15531574 0.74697503 0.15536473 Ta 1.92767108 5.74349797 3.88685741 -0.55217506 1.92039140 -0.34141948 Ta 1.91914488 3.82712036 5.76371347 -0.00988869 0.21833853 2.14937978 Ta 0.01000173 5.74343931 5.78358590 1.38624950 -1.39308089 -1.42532733 Ta 3.87270093 3.86737800 3.87345788 -0.42832241 -0.35526630 -0.49467849 Ta 5.76978029 5.73789427 3.85580978 0.27059734 0.47620814 -0.71735639 Ta 5.73729820 3.86616730 5.75181612 0.54188009 -0.46565563 0.57923838 Ta 3.83956890 5.78441947 5.73577305 -0.52153597 0.21668795 0.41126841