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=108.08249165664579 stress="-0.002440963860014276 -0.0005973113209281582 -0.000656613892482311 -0.0005973113209281582 -0.0036276473376838786 -0.00043520561161543324 -0.000656613892482311 -0.00043520561161543324 -0.0012982074909952072" free_energy=108.08249165664579 pbc="F F F" Ta 35.01234588 35.34510794 35.48158121 -6.17338214 -4.19857345 -19.25508526 Ag 35.65604811 35.80455785 37.23020226 6.56370529 -2.64859939 18.38195711 Ag 37.58906322 37.27573466 34.95693129 -7.47064619 -17.57045836 -6.22187448 Ta 38.22788284 38.97361577 35.61215098 -18.04747419 4.38117969 10.86769908 Ag 37.86603139 35.11890098 37.14544563 3.58793437 -0.18824514 0.20468866 O 38.72412918 36.48079300 39.25360598 8.62396700 -2.47575479 -9.56594905 Ag 35.02334659 37.74379416 37.72051569 -6.59523440 4.95438802 -6.38856613 Ag 35.97666350 38.36469412 39.46008132 34.91883222 -79.89514348 -15.80763128 Ta 40.23512865 34.70602693 35.76491825 -1.78606424 -2.04650386 -0.54584701 Ag 41.03203793 36.63094329 36.74154753 5.92621765 -3.24561000 -6.53767091 O 43.24775743 37.29802948 34.73409359 -1.15914690 -4.18843996 -3.64070930 Ag 43.43476576 38.72117258 36.23530036 4.07006272 -0.67349522 -0.97531267 O 43.13978270 35.24830260 37.53061018 -0.87891698 1.09458263 1.20505120 Ta 43.31618732 35.77183844 39.49131980 5.95612056 -10.61426944 -2.94716888 Ta 40.12077654 37.88408640 38.16422407 -100.01837556 -57.71204914 0.16326773 O 41.21557392 38.59442878 38.23706402 89.92672673 62.67808514 7.61997803 Ag 34.71789811 40.04141634 34.64269960 0.38082489 0.12364991 0.94443989 Ag 36.25645072 41.47853071 36.43111706 -93.81364679 102.34460917 -52.30889690 Ta 37.24035846 42.78095707 34.87125268 -3.40851117 -0.80438076 -7.00958014 Ag 38.71816162 43.55948294 36.16186959 4.40902542 3.86755889 4.07705760 Ag 37.24087712 40.35119258 37.00602832 86.04699532 -98.54345447 59.47288029 Ag 39.06405810 41.17616439 38.85905276 -11.03920634 3.23617942 -22.78707081 O 34.78397830 42.21221801 38.14331531 0.54429995 -0.31747762 0.82761509 O 35.41082853 43.53692374 38.03934432 -2.00427649 -1.77455960 0.32701796 Ta 39.90761866 39.50919729 35.13314449 29.77326230 9.08939338 -8.24423796 Ta 41.70214809 41.01132566 36.78230225 0.57552005 0.22878672 -12.66605853 O 41.57074898 42.17505110 34.76745770 -0.10095871 -0.01891686 0.15428497 O 43.75443259 43.83431002 36.15742170 -0.85113461 0.62780827 0.99075737 O 42.65476840 40.00095439 37.52546333 6.62377002 -14.31278172 12.04929904 Ta 43.85860803 41.01819717 38.32614643 8.40055083 3.29098025 5.38612848 O 40.50540722 42.03192738 36.69049682 -17.02668669 13.01529190 -0.81420814 O 41.15336496 43.25080388 38.55833453 -15.59857225 5.25226935 -6.87684427 Ag 35.27111783 35.39584739 40.23376922 -193.53022115 -263.82124426 -160.02055163 Ag 35.96987830 36.33782439 40.78216122 128.60545658 209.84396575 201.57750377 Ag 37.21118567 37.25447954 40.09794727 78.09309623 -2.56334865 -33.40799561 Ag 38.33562769 38.58322339 40.80643510 20.10087255 22.99742695 14.34065361 Ag 37.62918208 35.49171953 43.05049121 -80.49047028 -124.17393384 -73.63492541 O 38.31329214 36.55271744 43.67447320 78.93429340 123.00500145 73.51775381 Ta 34.81450307 37.57575622 42.04175058 -3.77918926 5.00182473 5.01019737 O 36.99020401 38.92564496 43.06409136 -69.33356065 -178.23246625 57.43346775 O 39.69763618 35.63805365 39.37779790 5.83057240 -3.74512693 2.02901529 Ta 41.60165621 36.17136308 41.36346161 -5.11514561 -0.57791177 0.12855114 Ag 42.35257109 37.55926878 39.72946104 -1.92353325 10.89519070 1.94212582 O 43.58820421 38.65140310 41.75500539 2.04504940 -6.31791897 -2.37011952 O 42.51159747 35.29311701 42.71947350 1.00598709 -1.63651791 1.66456867 O 43.74798648 36.78271313 43.88600078 -0.66588430 1.54254722 0.42646269 O 39.71808501 37.74206309 43.24024027 4.93537504 2.17354659 -1.60309176 Ta 41.79334335 39.16692148 44.11925871 -2.93979941 -1.89084612 -0.78365281 Ta 35.18061798 39.67921781 39.58352583 -75.07707783 108.41229852 -9.14181792 Ag 35.78358643 41.09675431 40.82424759 8.82626049 10.94474775 9.04641403 Ta 38.37034837 42.53402986 40.16565709 -2.85853989 1.04807200 -4.23168530 Ta 38.07201536 43.48419704 41.80274403 -0.70994023 9.71676081 20.63672499 Ta 37.40353578 40.00523009 42.71156642 69.94896594 179.01371856 -55.10611810 O 39.03127071 40.65434670 44.06902490 -1.17989955 -1.92931210 -2.06044065 Ta 35.13392813 42.94760563 42.27221211 0.43660072 1.24036990 2.67860605 O 36.69661522 43.75936894 43.70795441 -0.35986755 -1.81664170 -5.54886251 Ta 40.33941668 40.15974030 39.76672435 17.79233510 -13.96552843 11.93022142 Ta 41.96863651 42.00326387 41.09505287 -13.99555463 0.08257317 1.10371531 Ta 42.56341262 42.81844809 39.23352847 16.48347142 -3.27602476 -1.80090675 Ag 43.67877900 43.64289511 40.91255305 7.16838359 6.52874543 2.53611862 Ag 42.79731780 40.49577265 42.28899629 -2.07414904 -5.04371767 -0.19119818 Ta 43.60513998 41.36992617 44.00688403 3.14754229 4.90156715 7.81378979 O 40.17793308 42.85187723 42.78721465 -9.79131376 -7.87017275 -16.81477182 Ag 41.25601921 43.55161798 44.13494886 10.11430242 6.55630591 12.82083706