64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-139.98927852310314 stress="-3.0089425551459295e-05 -0.00012007676688680144 -0.00020652511574760035 -0.00012007676688680144 1.7885877248295465e-05 -2.9706696907039845e-05 -0.00020652511574760035 -2.9706696907039845e-05 1.593149557798639e-05" free_energy=-139.98927852310314 pbc="F F F" Ta 34.75900849 35.18525799 34.98359487 -1.87508619 1.06937266 -2.47770302 Ta 36.59933616 35.93572417 36.44241741 4.37678324 1.74186465 7.29375938 Ta 37.14715992 37.22516294 35.03187557 -4.11251432 -3.19157339 -8.21694094 Ta 38.38021302 38.78131475 35.96390753 -0.98739314 9.93354194 -5.81421007 Ta 37.29465675 34.93158033 37.83765651 0.16414596 -2.84373602 5.41117375 Ta 38.85840215 35.76443239 38.52583685 -1.78356992 -0.29084812 -2.20317816 Ta 34.64671032 37.45816935 37.80973961 5.45364458 2.32410990 2.93869661 Ta 36.55604684 39.07636534 38.99475015 4.69821182 -8.62953325 2.25897433 Ta 40.44932342 35.52070525 34.75670798 -5.07994231 0.83537851 -4.41958626 Ta 41.20709335 36.23678549 36.50500385 6.91454082 -2.42032061 9.61350825 Ta 42.56413860 37.64571461 34.86420263 -6.98118440 -3.17541958 -4.55153185 Ta 43.67982227 38.93010349 35.86736005 7.92009419 3.89100939 2.75462177 Ta 43.31927122 35.29825864 37.98568119 -3.09981946 2.37274560 2.57245141 Ta 43.94092265 36.30422636 38.99841149 -0.78767414 7.18267947 5.09803519 Ta 39.63485376 37.67682157 37.44339995 -3.54276636 4.92463970 -3.17420967 Ta 40.92663375 38.76169005 38.77269330 4.28398438 -0.33921211 4.20949001 Ta 34.75331176 39.95945902 35.10549878 -3.49703695 -4.46121580 -5.11975030 Ta 36.14575737 40.88078096 36.24085714 0.72310889 -3.75793009 6.14558832 Ta 37.23544699 42.16002737 34.69446895 2.33291935 0.30600107 -4.45959597 Ta 38.61643991 43.32327578 36.40123177 -3.41154212 3.36597964 3.35333923 Ta 37.95366604 39.88968876 37.71888199 6.24009923 6.93772779 7.03946455 Ta 39.18297782 40.79320854 38.39174556 1.65736782 -0.21209392 -6.46415826 Ta 35.42822756 42.83814538 37.63905551 0.89552132 -2.89972913 -2.89246646 Ta 35.90975672 43.66349090 39.11824152 2.71513448 8.16042135 8.31413984 Ta 40.38619242 40.63633417 34.70305829 -2.60613940 -1.36919010 -2.36008801 Ta 41.60365422 41.12475624 36.46651109 11.47410854 -10.10059246 11.25077664 Ta 42.13700750 42.97130329 35.10350000 -3.26763997 2.69772237 -5.21717046 Ta 43.97271432 43.67773568 36.36724050 1.51990498 -0.86916781 4.15432875 Ta 42.58087455 40.09122498 37.35935114 -5.28406318 -1.84818983 0.77034501 Ta 43.97769358 41.09133389 38.54532507 7.04440679 -2.28744831 -2.92432648 Ta 39.66448343 42.47446226 37.11226018 -9.13398310 -2.46526770 -2.81639165 Ta 40.97555741 43.58115070 38.89352680 -5.75572418 6.20898873 -0.45028604 Ta 35.05615299 35.04331559 39.53882749 -3.10482910 -2.37261602 -2.92986287 Ta 36.18959060 36.09305905 40.45207603 4.42134074 8.48076373 -1.28100870 Ta 37.00297454 37.99791377 39.62151619 -3.34301055 4.25339877 -8.82692539 Ta 38.55150311 38.51894432 41.34725891 -3.20824815 -3.61086613 2.28595277 Ta 36.88588729 34.96989052 42.36669775 -0.42864229 -2.37307569 0.67357587 Ta 39.08450338 35.75571598 43.58475277 -1.02116055 -2.67837915 0.73675277 Ta 34.99655912 37.96978731 42.51668654 -1.70001379 -3.77495515 -4.60843600 Ta 36.22422232 39.41564291 43.54655608 7.93015129 7.23472083 0.58103688 Ta 39.50296794 35.00137669 40.41040162 1.42902142 -2.40354399 9.69878846 Ta 41.48837336 35.77607600 41.43404765 2.42966928 -0.72170195 1.71928926 Ta 42.84911873 37.54337436 40.08801189 2.01965235 -3.82858421 -6.66433750 Ta 43.60556472 38.49425818 41.03735392 -2.66328592 -0.40117550 -0.23755583 Ta 42.20384740 34.85081933 42.03810700 -4.77885370 3.27951078 -2.31923941 Ta 43.64763455 35.83675700 44.00814638 -2.96200874 1.91049735 -3.44101016 Ta 40.09980901 37.00409575 42.77385137 5.89897560 -3.57872921 -6.32179989 Ta 40.94042883 38.73073442 43.80462855 -1.16795189 -1.05993172 3.61814466 Ta 34.83286624 39.78943560 39.88514663 -8.48743014 -4.69860125 -0.90974941 Ta 35.88698845 41.61356488 40.86193449 7.91097971 -1.87560793 1.52750117 Ta 37.82350393 42.21827495 39.80335328 1.05317626 -4.26509496 -5.57858519 Ta 38.63834321 43.28337470 40.87827378 -3.04860374 3.89592708 0.99835951 Ta 37.36102597 39.44554184 42.87644269 -1.62827591 -1.88526313 -5.04833666 Ta 39.23985324 40.79357549 43.78505241 -0.95638626 0.24198921 -1.19357632 Ta 34.62935593 42.80367007 42.32271401 -4.52958041 2.56714292 4.02233987 Ta 36.64289762 43.79540286 43.37563583 3.06082476 -2.63106468 -2.16839818 Ta 39.50493887 39.74812168 40.36805486 -7.95439501 0.57050645 6.10168166 Ta 40.89974943 41.22892384 41.12165250 -7.47364297 2.86534816 4.36209843 Ta 42.34497277 42.33104992 39.71375535 3.15624747 -1.92089024 4.33930830 Ta 43.96837464 43.91658749 41.44436977 -2.65643554 -2.97872629 0.78023641 Ta 42.35184833 40.42044581 42.87778893 -0.76096414 3.25580857 -3.88256210 Ta 43.82327501 41.37060237 44.08965562 5.78802698 4.81415073 3.55081284 Ta 40.39757659 42.11536967 42.13716159 7.10934206 -8.13571039 -11.09675679 Ta 41.28385059 43.80972401 43.69974070 2.45841361 1.03403846 1.89516209