{ "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" 2.8510001525282864 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.851000152528287e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.427857592348 2.32901405040753 2.33619604247207 2.3212172239735 2.33704294182616 2.29952196980185 2.28041726765086 2.29936963126481 2.26502511312688 2.26317417129051 2.27947342598238 2.35162592455614 2.27685561401376 2.25776264132012 2.25898781760421 2.26666984388852 2.28580004692628 2.27931212748157 2.29044785852277 2.29547219736325 2.29805447809137 2.29062145022378 2.44300187252096 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.427857592348e-10 2.32901405040753e-10 2.3361960424720703e-10 2.3212172239735e-10 2.3370429418261603e-10 2.29952196980185e-10 2.2804172676508602e-10 2.2993696312648103e-10 2.26502511312688e-10 2.26317417129051e-10 2.2794734259823799e-10 2.35162592455614e-10 2.27685561401376e-10 2.25776264132012e-10 2.2589878176042101e-10 2.2666698438885202e-10 2.2858000469262798e-10 2.2793121274815703e-10 2.2904478585227702e-10 2.29547219736325e-10 2.29805447809137e-10 2.29062145022378e-10 2.44300187252096e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.013302402856800821 0.8682966073241236 0.9016640530271331 0.9625384394088525 0.9785156352101493 1.091224320954067 1.1299307893262363 1.095864077747733 1.209626084455768 1.1998026424330772 1.2121799750407438 1.065395129534529 1.1621774221714143 1.0929024136185226 1.1393795963483222 1.0941470928321517 1.0644978030142838 0.9859865396119621 0.8914310561548539 0.8154647948113648 0.7554873409771364 0.6857086099301907 0.01504995082647995 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.013302402856800821 0.8682966073241236 0.9016640530271331 0.9625384394088525 0.9785156352101493 1.091224320954067 1.1299307893262363 1.095864077747733 1.209626084455768 1.1998026424330772 1.2121799750407438 1.065395129534529 1.1621774221714143 1.0929024136185226 1.1393795963483222 1.0941470928321517 1.0644978030142838 0.9859865396119621 0.8914310561548539 0.8154647948113648 0.7554873409771364 0.6857086099301907 0.01504995082647995 ] } "short-name" { "source-value" [ "bcc" ] } "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" [ "Fe" "Fe" "Fe" "Fe" ] } "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 ] } }