64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=81.158961597 stress="-1.143672309117692 0.24810959629210966 -0.0862236811804129 0.24810959629210966 -1.1817147116151043 -0.3556869812266077 -0.0862236811804129 -0.3556869812266077 -1.0032442002912003" pbc="F F F" O 0.03858457 -0.11085397 -0.23331934 0.02157942 0.02510072 0.01956881 O 1.63408640 1.74716111 1.21557392 -84.76827150 -51.65168886 142.81920177 Ag 2.34442878 2.12864027 0.08462416 81.07612661 46.51926089 -138.80160123 Ag 3.56536861 3.56522657 1.25645072 60.17581812 -55.92007475 -62.19402482 Ta 3.17182374 0.34818002 2.31849910 -1.63862506 0.30543265 -10.18260043 Ag 3.53433809 1.60386558 4.16374457 20.77632162 -43.32326112 -33.71848588 Ta -0.07556969 2.67604377 2.02116024 1.55625181 1.39639843 -3.64802180 Ag 1.73108551 2.99946316 3.61847514 -9.02759467 1.69353538 -7.46899633 O 4.86303167 0.13846512 0.18576155 -3.22676568 -4.58437023 1.47263570 Ag 5.92249346 1.54246074 1.28757376 -44.07506682 28.24138890 3.86754072 Ag 7.20404410 1.68885915 -0.09238134 10.42013177 17.50120856 -34.64524224 O 8.25919729 3.88314449 1.70214809 29.03584336 -82.34328131 -15.64501383 Ta 7.26132566 0.53230225 1.57074898 39.39747207 -45.01802416 31.37944559 Ag 8.42505110 1.01745770 4.03700272 9.28008727 -10.90375598 -11.66346018 Ta 5.04679159 3.04805726 2.74904292 0.50139680 -1.48839167 4.45443938 Ta 6.82347060 4.25297702 3.61623610 17.69955071 -22.41008459 -9.36921558 O 0.33037081 4.87290165 -0.37952315 -1.04029050 -0.80901067 0.50202031 O 1.58365705 5.74826604 0.78857464 -2.74879442 2.75439925 -2.62750783 O 2.77676740 6.98731683 -0.09567009 1.78681437 0.60721125 -0.34623625 Ag 4.55128299 8.48673999 0.52186011 -0.91905815 1.54009115 -3.21147080 Ag 2.58782439 4.53216122 2.21118567 -59.81134307 60.16715334 63.76756217 Ag 3.70438493 6.02054845 4.05373060 -2.66293421 2.52978900 -3.74405837 O -0.16677661 7.05643510 2.62918208 0.02852338 -0.01689068 0.00104418 O 1.74171953 8.81717061 3.97287052 -13.71782059 11.86726061 -18.43413539 Ag 4.50264388 5.31043791 -0.18549693 -0.52445358 -0.12541217 0.36817062 O 6.32575622 5.79175058 1.99020401 -19.12025440 10.01230778 -0.45219716 Ag 7.41808412 7.22571237 -0.25906380 -0.26116374 0.23356427 -0.07091782 Ag 8.76169134 8.82712236 1.17233285 -0.54459688 -0.47228250 0.09681061 Ta 7.81136860 5.13559208 1.93466996 -17.89082416 68.05562059 -5.28812493 Ag 8.86872170 5.99567603 3.27752939 11.81122147 10.38805146 14.42164790 Ta 5.36792071 8.16363695 2.74588498 -48.22917071 -74.08884901 -79.23937730 Ag 6.02763940 9.07325804 3.83980129 45.99844414 72.45530432 81.19434407 O 0.65580512 0.03708035 5.01105937 0.28481308 0.82000566 0.49769540 Ag 1.37687521 2.11313331 6.27107377 9.76662020 -10.67436637 -10.05784292 Ta 2.97455462 2.82172885 5.18061798 -144.41956287 -203.62491264 -136.71099637 O 3.42921781 3.66554559 5.77036106 138.43240376 252.47257341 178.21298194 O 2.38198882 -0.26833138 7.94973164 -0.03583012 0.12652661 -0.35187441 O 3.26164922 1.52831198 8.65121355 2.28496781 1.28959135 -1.89278657 Ta -0.02628269 2.49511923 7.48427270 -15.33802042 6.46783203 16.98448993 O 1.61184169 3.96156642 8.63787495 -1.10480018 0.29585786 -4.46054445 Ta 5.15319182 0.24648338 5.18398983 0.84647289 -3.01889664 0.22181679 Ag 6.41111068 1.20123870 7.02421802 -42.49017046 13.14246826 -33.95000013 Ta 7.37066717 2.09206275 5.24903015 -4.32940298 14.92112977 5.43969231 O 8.90974030 3.96241384 6.84473132 3.71727831 -6.86132373 -0.62029654 O 7.54320223 0.31986200 7.46786591 80.59579581 -63.97888351 31.12442127 Ta 8.73001463 1.20727321 8.61973479 -0.81073563 1.28932812 -0.77070428 Ta 5.37536445 2.50677012 7.28687079 -44.14278955 45.64505530 10.03620593 Ag 6.56247791 4.10596350 8.39385877 -6.67356981 -4.70966156 13.80791799 O 0.49267123 5.04037624 4.59438228 0.81542153 0.01350200 1.66483530 Ta 1.32693436 6.20835488 6.54384104 -132.19289665 74.12269663 -64.38804265 Ag 2.70236234 7.98507234 5.26416599 -47.10096837 -64.37210413 -26.17796074 Ta 3.76199512 8.92021214 6.04309079 61.83656446 53.12266161 43.72875865 Ta 2.55357872 5.49106736 7.12045442 128.85617616 -79.76072594 62.88692257 Ta 4.15803316 6.37952194 8.67660406 -0.20817285 -0.48255055 0.95128192 O -0.06480076 7.28276865 7.38003226 -0.64023843 0.22304686 0.11182479 O 1.90163569 8.23065084 8.69202231 2.76731398 -1.14822648 -0.87272984 Ta 5.71245470 5.33487941 4.57145132 -16.77576338 13.48554729 13.17829429 Ag 6.11179473 6.64282253 6.20840784 38.28164946 -20.32354955 -21.97090909 Ag 7.47963608 7.79944126 4.92732837 3.39218440 -1.54539592 -2.78531805 Ta 8.94399530 8.65641573 6.43433907 -0.02212919 2.20715735 4.02420174 Ta 7.41780745 4.92246100 6.83641561 4.15172739 7.72758776 -12.37287298 Ag 8.18374227 6.28107950 8.49506617 1.14087832 0.67168749 2.49174456 O 4.91807604 7.36556396 7.02015462 -41.49680596 28.87310725 32.30162107 Ta 6.65962315 8.29478834 8.80360800 1.25303450 0.44553356 -3.89557113