{ "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" 4.080053508281708 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.080053508281708e-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" [ 2.79621641593285 2.55001158367874 2.54884724379147 2.54194349698229 2.55763089627097 2.61874093536688 2.60865621855721 2.60813535226674 2.59189695744519 2.55910213898601 2.57166380266123 2.58347052725277 2.56573128015625 2.57579976042069 2.56563966369803 2.57478448802256 2.59322948791105 2.60289389157871 2.60566282806878 2.60383103781166 2.61181662360677 2.61144395677554 2.84949954013555 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.7962164159328503e-10 2.55001158367874e-10 2.54884724379147e-10 2.5419434969822897e-10 2.55763089627097e-10 2.6187409353668796e-10 2.60865621855721e-10 2.6081353522667404e-10 2.59189695744519e-10 2.5591021389860103e-10 2.57166380266123e-10 2.58347052725277e-10 2.5657312801562505e-10 2.57579976042069e-10 2.56563966369803e-10 2.57478448802256e-10 2.59322948791105e-10 2.60289389157871e-10 2.60566282806878e-10 2.6038310378116603e-10 2.61181662360677e-10 2.61144395677554e-10 2.84949954013555e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.011900321808886541 0.5407129428938359 0.5624451143613255 0.584222058607063 0.6032357790947117 0.623662581604656 0.6418656410430642 0.608812720830405 0.6667893783917853 0.6626185198540826 0.6781947013206197 0.6317088167033046 0.6139744187809365 0.5780299248272996 0.581893426620083 0.5356273930929185 0.5141702339388248 0.46709032215111873 0.41972833542240495 0.3840391646372893 0.35410583143492375 0.3183433055106119 0.013463677217910135 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.011900321808886541 0.5407129428938359 0.5624451143613255 0.584222058607063 0.6032357790947117 0.623662581604656 0.6418656410430642 0.608812720830405 0.6667893783917853 0.6626185198540826 0.6781947013206197 0.6317088167033046 0.6139744187809365 0.5780299248272996 0.581893426620083 0.5356273930929185 0.5141702339388248 0.46709032215111873 0.41972833542240495 0.3840391646372893 0.35410583143492375 0.3183433055106119 0.013463677217910135 ] } "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 ] } }