32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=79.5573761764 stress="-6.293925967263074 -0.6492171915365441 -0.8479542384939903 -0.6492171915365441 -5.330179692228014 0.8763925843032211 -0.8479542384939903 0.8763925843032211 -6.688086492559857" pbc="F F F" O 0.09738870 0.02928226 0.15019543 -2.37744049 -4.18424454 -5.78130177 Ag 1.43525650 1.71713663 0.23454065 19.25178060 -26.74382246 -44.71905790 O 1.38219098 -0.08160438 1.28382285 2.29237596 -6.41964520 2.54740274 Ta -0.00452158 1.46070040 1.26338490 -23.99613409 -24.53668488 27.00821899 Ta 3.20502545 -0.17182485 0.09925162 -10.48640238 -5.19667437 -8.37513096 Ta 4.64408857 1.47537525 0.20902946 46.49074443 -37.42959923 -16.31251638 O 4.29590009 0.16265408 1.31722339 15.77090210 -11.86178842 9.14537025 O 3.04052745 1.23417086 1.44170993 16.58907955 16.68386711 -33.75894945 Ta 0.18168807 3.14109445 0.03839703 -73.67036210 19.46772541 -73.63395798 Ta 1.45376057 4.22340307 0.25136981 -3.00913968 55.51480549 -41.07403927 Ag 1.44620822 3.13443557 1.39776239 69.56806954 -19.30830401 115.28286065 O -0.19337652 4.42507085 1.44814746 -2.44140783 22.14830879 -30.33257225 Ta 3.27544140 2.75162633 0.28148913 -106.95539962 -5.06476791 -96.57338001 Ag 4.55210001 4.46864501 0.26147517 41.01500896 29.50917310 -56.22918997 Ta 4.50736779 3.00505582 1.23594820 76.07794790 2.19018334 88.87258047 Ta 3.22668532 4.58352372 1.34376228 -23.61644634 14.50585729 30.81779238 Ag -0.11654768 -0.04796265 3.12378187 -4.14940453 -12.15626590 -5.28934348 O 1.72232616 1.47927008 2.72147108 5.96605638 -22.64867764 18.37482357 O 1.48040273 0.04853637 4.60381406 -0.80523258 1.29626013 2.09950293 Ta 0.23411794 1.77820060 4.05425323 -23.81619641 -31.70755654 1.79627879 Ta 3.17621204 0.05106623 2.71035018 -45.62456385 13.85704008 51.34497542 O 4.53922890 1.44835560 3.11719846 27.34169516 25.79671083 -22.70052552 Ag 4.58238315 0.14133005 4.49640474 20.62136802 -24.93071877 12.98164408 O 3.28987430 1.34915582 4.46105922 -32.12433912 -15.45567976 -7.75834556 Ag -0.23013858 3.26112795 2.71938597 -28.51080893 -10.36066912 24.83462110 Ag 1.51619234 4.30772007 3.03790681 10.90277270 15.24430852 2.81683139 O 1.23395044 2.71647147 4.57493195 28.78306178 25.24030726 20.55599148 Ag 0.26155410 4.63684887 4.51329379 -11.85871431 3.07413767 15.54483776 Ag 3.29740101 3.01819314 3.23570652 -54.93885705 -38.30635190 -50.49191904 Ag 4.58177926 4.30522007 2.78391760 34.42660506 33.30037978 7.06814626 Ag 4.34426700 3.22868501 4.67230680 51.26548422 -16.29689101 61.41832497 O 3.35088360 4.54311643 4.24650446 -17.98210306 34.77927687 0.52002633