{ "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" 3.5192936509847637 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.519293650984764e-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" [ 2.44486651699521 2.18867245221038 2.17856055362877 2.22352740510592 2.27386988956664 2.29753767943179 2.22109395784474 2.2971121743845 2.20139992175902 2.20476497016782 2.1796276531071 2.22394617920418 2.18726232745221 2.1984841173866 2.18760943247692 2.20640081080016 2.16505416765247 2.19480793991254 2.16095445594481 2.14742764532729 2.22002359957686 2.2241396808406 2.48205959563466 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.44486651699521e-10 2.1886724522103804e-10 2.1785605536287701e-10 2.2235274051059204e-10 2.27386988956664e-10 2.29753767943179e-10 2.2210939578447402e-10 2.2971121743845e-10 2.2013999217590202e-10 2.2047649701678198e-10 2.1796276531071e-10 2.2239461792041802e-10 2.18726232745221e-10 2.1984841173866002e-10 2.1876094324769203e-10 2.2064008108001599e-10 2.1650541676524702e-10 2.1948079399125402e-10 2.1609544559448102e-10 2.14742764532729e-10 2.2200235995768602e-10 2.2241396808406e-10 2.48205959563466e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.018175328473975776 1.1651465749029999 1.209667728768056 1.2545025225289277 1.3071384961135948 1.3072391698231767 1.3626314594732805 1.3073498741058338 1.4040173073891014 1.4010180650414619 1.411547231106501 1.3157681663921539 1.3470005137419032 1.291492689536101 1.2845202834955933 1.177755873497852 1.136354345955439 1.0361144110416165 0.9377989683401105 0.8481724261280998 0.7856182512994353 0.7065839625439428 0.020555020420830843 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.018175328473975776 1.1651465749029999 1.209667728768056 1.2545025225289277 1.3071384961135948 1.3072391698231767 1.3626314594732805 1.3073498741058338 1.4040173073891014 1.4010180650414619 1.411547231106501 1.3157681663921539 1.3470005137419032 1.291492689536101 1.2845202834955933 1.177755873497852 1.136354345955439 1.0361144110416165 0.9377989683401105 0.8481724261280998 0.7856182512994353 0.7065839625439428 0.020555020420830843 ] } "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 ] } }