{ "property-id" "tag:brunnels@noreply.openkim.org,2016-02-18:property/grain-boundary-symmetric-tilt-energy-relaxed-relation-cubic-crystal" "instance-id" 1 "a" { "source-value" 4.080053493380546 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.080053493380546e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "minimum-atom-separation" { "source-value" [ 2.7973461829374 2.55008985655445 2.54883904774451 2.542038794891 2.5576288505809 2.61877402119043 2.60863398784423 2.60834005914049 2.59190135074877 2.55910250489271 2.57166926376322 2.58342819640312 2.56321204032296 2.5757431096831 2.56563926626082 2.59538638466385 2.59321822084918 2.60289400102337 2.60566857726124 2.60695595632326 2.61181166317695 2.60499686714052 2.84949761641237 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.7973461829374e-10 2.55008985655445e-10 2.5488390477445104e-10 2.542038794891e-10 2.5576288505809003e-10 2.61877402119043e-10 2.60863398784423e-10 2.60834005914049e-10 2.59190135074877e-10 2.55910250489271e-10 2.5716692637632204e-10 2.58342819640312e-10 2.56321204032296e-10 2.5757431096831e-10 2.5656392662608204e-10 2.59538638466385e-10 2.59321822084918e-10 2.60289400102337e-10 2.60566857726124e-10 2.60695595632326e-10 2.6118116631769504e-10 2.6049968671405205e-10 2.84949761641237e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.011900321912141874 0.5404783009380828 0.5624007514922964 0.5841949306937502 0.6032197244487659 0.6236273994569741 0.6418337122139024 0.6087965939786385 0.6667527054466573 0.6625984793026992 0.6781582700153296 0.6316836917527464 0.6139375948565965 0.5779877946736192 0.5818263344635161 0.5348341803063633 0.5141328251232729 0.4670633723847795 0.41968831591139355 0.3827272545046298 0.353901786086904 0.31700174862102787 0.01346367730553836 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.011900321912141874 0.5404783009380828 0.5624007514922964 0.5841949306937502 0.6032197244487659 0.6236273994569741 0.6418337122139024 0.6087965939786385 0.6667527054466573 0.6625984793026992 0.6781582700153296 0.6316836917527464 0.6139375948565965 0.5779877946736192 0.5818263344635161 0.5348341803063633 0.5141328251232729 0.4670633723847795 0.41968831591139355 0.3827272545046298 0.353901786086904 0.31700174862102787 0.01346367730553836 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 1 1 25 9 25 17 53 9 73 7 29 5 1 17 89 13 37 25 41 15 85 113 1 ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" ] } "tilt-angle" { "source-value" [ 0.0 14.250032697803595 16.26020470831196 18.924644416051233 22.619864948040426 28.072486935852957 31.890791801845708 36.86989764584402 41.112090439166934 43.60281897270362 46.39718102729638 53.13010235415598 59.48976259388444 61.92751306414704 64.01076641616699 67.38013505195957 71.07535558394876 73.73979529168804 77.31961650818018 79.61114218453038 81.20258929000894 82.3718503314193 90.0 ] "source-unit" "degrees" "si-unit" "radian" "si-value" [ 0.0 0.24870998909352293 0.2837941092083279 0.3302973548292537 0.3947911196997616 0.4899573262537284 0.5565993180102228 0.6435011087932845 0.7175413405411447 0.7610127542247299 0.809783572570167 0.9272952180016124 1.038292228493046 1.0808390005411685 1.117198630687125 1.1760052070951352 1.2404989719656432 1.287002217586569 1.3494818844471055 1.3894765523934065 1.417252544255341 1.4376599992432493 1.570796326794897 ] } "tilt-axis" { "source-value" [ 0 0 1 ] } }