{ "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" 2.855312466621399 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.855312466621399e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.47042996282062 2.2660375594284 2.27911471000948 2.32052080931865 2.29353896762508 2.28414803081101 2.26199945236009 2.26641454253094 2.23392979584011 2.23148406061508 2.27893344115752 2.27819739405043 2.23144040728568 2.22311476699871 2.23769051835901 2.23658388668732 2.25298830963673 2.24815396297753 2.25583672800939 2.25886945779174 2.26183418033402 2.26534832306249 2.41049177252133 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.47042996282062e-10 2.2660375594284e-10 2.27911471000948e-10 2.32052080931865e-10 2.29353896762508e-10 2.2841480308110098e-10 2.2619994523600902e-10 2.26641454253094e-10 2.2339297958401103e-10 2.23148406061508e-10 2.2789334411575203e-10 2.2781973940504303e-10 2.2314404072856801e-10 2.2231147669987103e-10 2.2376905183590103e-10 2.23658388668732e-10 2.2529883096367298e-10 2.24815396297753e-10 2.2558367280093902e-10 2.25886945779174e-10 2.26183418033402e-10 2.26534832306249e-10 2.41049177252133e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.012435498386751589 0.8951801327225358 0.9308174136474889 0.9922855655113484 1.0246068794649226 1.104208884700747 1.1334849326956877 1.0524420538484127 1.1748310675933593 1.1936404159806338 1.1997599970858626 1.1354252500302147 1.188591426319454 1.1828238219135347 1.1754170994100615 1.1380022609249933 1.0808639536619022 1.0139472548154114 0.9175585450310035 0.8407282214074586 0.7784338681363863 0.7096810452518135 0.014075437028081497 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.012435498386751589 0.8951801327225358 0.9308174136474889 0.9922855655113484 1.0246068794649226 1.104208884700747 1.1334849326956877 1.0524420538484127 1.1748310675933593 1.1936404159806338 1.1997599970858626 1.1354252500302147 1.188591426319454 1.1828238219135347 1.1754170994100615 1.1380022609249933 1.0808639536619022 1.0139472548154114 0.9175585450310035 0.8407282214074586 0.7784338681363863 0.7096810452518135 0.014075437028081497 ] } "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 ] } }