{ "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" 3.613315634429455 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.613315634429455e-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" [ 2.47126487932533 2.32921347658323 2.28502039821228 2.28372873303562 2.38036761290406 2.3642657187914 2.27275974190599 2.34277783766762 2.30170389278029 2.30885589806694 2.29376775155873 2.33641572908315 2.27468591275697 2.30547518100627 2.30466664601519 2.2918748227158 2.28733011852633 2.25666625979005 2.29228319320639 2.27250082878319 2.30976303523319 2.2709175230924 2.54406198880509 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.47126487932533e-10 2.32921347658323e-10 2.28502039821228e-10 2.2837287330356203e-10 2.38036761290406e-10 2.3642657187914e-10 2.2727597419059901e-10 2.34277783766762e-10 2.30170389278029e-10 2.3088558980669398e-10 2.2937677515587298e-10 2.33641572908315e-10 2.2746859127569698e-10 2.30547518100627e-10 2.30466664601519e-10 2.2918748227158e-10 2.28733011852633e-10 2.25666625979005e-10 2.29228319320639e-10 2.27250082878319e-10 2.30976303523319e-10 2.2709175230924e-10 2.54406198880509e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01370167214232723 0.8114015141666203 0.8469771421348004 0.8831362644741554 0.912478689868461 0.9317218240435061 0.9517467719387159 0.8984636703530108 0.9791224279668949 0.9798335155398337 0.9969844347731336 0.9130132815624427 0.9171629402741903 0.8812574303424869 0.8751467584152296 0.7999284157856774 0.7719321392950447 0.7054640119080198 0.6312397930437231 0.5705217592297048 0.5255559095740877 0.47083436934659834 0.015501494215866647 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01370167214232723 0.8114015141666203 0.8469771421348004 0.8831362644741554 0.912478689868461 0.9317218240435061 0.9517467719387159 0.8984636703530108 0.9791224279668949 0.9798335155398337 0.9969844347731336 0.9130132815624427 0.9171629402741903 0.8812574303424869 0.8751467584152296 0.7999284157856774 0.7719321392950447 0.7054640119080198 0.6312397930437231 0.5705217592297048 0.5255559095740877 0.47083436934659834 0.015501494215866647 ] } "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" [ "Cu" "Cu" "Cu" "Cu" ] } "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 ] } }