{ "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" [ 2.43468478311526 2.23542952385362 2.23531404571635 2.24105879545724 2.18944856138792 2.27517041480282 2.22587982683812 2.24943360529318 2.2114498199377 2.21914002789308 2.22361055369273 2.24496071149954 2.19855099897183 2.20671083874092 2.20472111772617 2.22679066416143 2.21831341181855 2.23351893668651 2.23766019169237 2.2409396688027 2.24191106397715 2.23652479542795 2.45880009715503 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.43468478311526e-10 2.23542952385362e-10 2.2353140457163501e-10 2.24105879545724e-10 2.1894485613879202e-10 2.27517041480282e-10 2.2258798268381203e-10 2.24943360529318e-10 2.2114498199377e-10 2.2191400278930803e-10 2.2236105536927304e-10 2.24496071149954e-10 2.1985509989718302e-10 2.20671083874092e-10 2.20472111772617e-10 2.2267906641614303e-10 2.2183134118185503e-10 2.23351893668651e-10 2.23766019169237e-10 2.2409396688027e-10 2.2419110639771499e-10 2.23652479542795e-10 2.45880009715503e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.018089586730405383 1.2655385631632956 1.3176329363128685 1.3668519765501967 1.4122472445084526 1.4366303853078706 1.5611426199957612 1.384622515703989 1.518866477458234 1.5606872933718934 1.5616315883365326 1.4429877992474522 1.4585431131498305 1.4189290012611422 1.385081407044994 1.2665013696722116 1.2239300390313699 1.1170112234100131 1.0003412170557908 0.9077140449898979 0.8341629796254587 0.7526028814043669 0.020466031114778887 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.018089586730405383 1.2655385631632956 1.3176329363128685 1.3668519765501967 1.4122472445084526 1.4366303853078706 1.5611426199957612 1.384622515703989 1.518866477458234 1.5606872933718934 1.5616315883365326 1.4429877992474522 1.4585431131498305 1.4189290012611422 1.385081407044994 1.2665013696722116 1.2239300390313699 1.1170112234100131 1.0003412170557908 0.9077140449898979 0.8341629796254587 0.7526028814043669 0.020466031114778887 ] } "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 ] } }