{ "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" 3.5213917419314393 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.52139174193144e-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" [ 2.41577135029355 2.23587423718431 2.20330828125537 2.20104223595686 2.24649850965188 2.28752579522063 2.17938680006745 2.26579094656674 2.20449620349973 2.21807857467177 2.20314575688154 2.26144676441304 2.20156365124724 2.21838656616504 2.21227279554359 2.23727058374478 2.13966070798715 2.23383998626153 2.15685369977363 2.13398477489825 2.23654840478042 2.24502371302697 2.48408830019026 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.41577135029355e-10 2.23587423718431e-10 2.20330828125537e-10 2.20104223595686e-10 2.2464985096518802e-10 2.2875257952206298e-10 2.1793868000674502e-10 2.2657909465667402e-10 2.2044962034997302e-10 2.21807857467177e-10 2.2031457568815399e-10 2.26144676441304e-10 2.2015636512472398e-10 2.21838656616504e-10 2.2122727955435903e-10 2.2372705837447803e-10 2.13966070798715e-10 2.23383998626153e-10 2.1568536997736302e-10 2.13398477489825e-10 2.23654840478042e-10 2.2450237130269703e-10 2.48408830019026e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.018148379026339482 1.265008083663421 1.3161639286235762 1.3682759566576745 1.4141964781638916 1.4390739439871123 1.476445059290064 1.3915910533488962 1.5265700378564426 1.5386984163626802 1.5619556002831043 1.4535023336060844 1.4530856792873161 1.3889433794220551 1.387900305521266 1.2704473513214665 1.2236081917081434 1.1173580744759275 0.9979850405496874 0.905107648045442 0.8324963941503136 0.7535496473355592 0.020519071163548785 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.018148379026339482 1.265008083663421 1.3161639286235762 1.3682759566576745 1.4141964781638916 1.4390739439871123 1.476445059290064 1.3915910533488962 1.5265700378564426 1.5386984163626802 1.5619556002831043 1.4535023336060844 1.4530856792873161 1.3889433794220551 1.387900305521266 1.2704473513214665 1.2236081917081434 1.1173580744759275 0.9979850405496874 0.905107648045442 0.8324963941503136 0.7535496473355592 0.020519071163548785 ] } "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" [ "Ni" "Ni" "Ni" "Ni" ] } "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 ] } }