{ "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" 3.662545010447502 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.662545010447502e-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" [ 2.37823998516062 2.29352893246281 2.29015429604046 2.29040060976781 2.31656723515917 2.32125415107308 2.31521667751665 2.32519318027675 2.28684256111969 2.29275881496818 2.2900576681794 2.30472174018761 2.26719231028054 2.2528404294191 2.27040064984687 2.26390043600224 2.2247936119128 2.28493965624581 2.28546545835762 2.27641983677775 2.28068468471324 2.22871788067202 2.39478101348599 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.37823998516062e-10 2.29352893246281e-10 2.29015429604046e-10 2.29040060976781e-10 2.31656723515917e-10 2.32125415107308e-10 2.31521667751665e-10 2.32519318027675e-10 2.2868425611196898e-10 2.2927588149681802e-10 2.2900576681794e-10 2.30472174018761e-10 2.26719231028054e-10 2.2528404294190999e-10 2.27040064984687e-10 2.2639004360022403e-10 2.2247936119128001e-10 2.2849396562458103e-10 2.2854654583576203e-10 2.27641983677775e-10 2.2806846847132399e-10 2.22871788067202e-10 2.3947810134859903e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -5.4419642872191165 0.39423964428850156 0.4997093252142934 0.5161441353042249 0.6850840023409989 0.8373540636425092 0.8301003039422475 1.0936768184282937 0.9181410538043422 0.8533350827666192 0.8561364335793588 0.35530016511842305 0.7333658923881711 0.6444032156292522 0.23085793573551294 -0.01725324659471316 -0.6906763967722057 -0.3797252290730461 -0.9002934634420466 -1.2195693960174778 -1.440755114638869 -1.2600681552278392 -2.9123945631603143 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -5.4419642872191165 0.39423964428850156 0.4997093252142934 0.5161441353042249 0.6850840023409989 0.8373540636425092 0.8301003039422475 1.0936768184282937 0.9181410538043422 0.8533350827666192 0.8561364335793588 0.35530016511842305 0.7333658923881711 0.6444032156292522 0.23085793573551294 -0.01725324659471316 -0.6906763967722057 -0.3797252290730461 -0.9002934634420466 -1.2195693960174778 -1.440755114638869 -1.2600681552278392 -2.9123945631603143 ] } "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" [ "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 ] } }