{ "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" 2.863645806908607 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.863645806908607e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.43810928809228 2.3542470084234 2.35875611732853 2.34605897141491 2.35631847860062 2.3197951123818 2.30663920030243 2.32553574973722 2.29093644458476 2.28884598706618 2.29892575283927 2.36494342471248 2.29679313914668 2.29530664180757 2.2875736505236 2.30034851966078 2.29527075547031 2.30755481610566 2.3169801072364 2.3206031015124 2.32711086707401 2.31396588086588 2.45280376967014 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.4381092880922803e-10 2.3542470084234004e-10 2.35875611732853e-10 2.3460589714149104e-10 2.35631847860062e-10 2.3197951123818e-10 2.3066392003024299e-10 2.3255357497372204e-10 2.29093644458476e-10 2.2888459870661802e-10 2.2989257528392702e-10 2.36494342471248e-10 2.29679313914668e-10 2.2953066418075698e-10 2.2875736505236e-10 2.3003485196607798e-10 2.2952707554703099e-10 2.30755481610566e-10 2.3169801072364e-10 2.3206031015124e-10 2.3271108670740102e-10 2.31396588086588e-10 2.45280376967014e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01318582290641983 0.8949120110439266 0.9266796874356003 0.9893558733987957 1.0003652856180716 1.1200824165720518 1.161758470281065 1.1311086847333414 1.2432006442747368 1.23654783793469 1.251448612025644 1.1136519435435563 1.207437574858881 1.1546659692194907 1.1862450383795895 1.1253419599170191 1.1007857913645924 1.021398913967499 0.9230101528293175 0.8443351198628033 0.7821716416867072 0.7120947724433765 0.014918055665467021 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01318582290641983 0.8949120110439266 0.9266796874356003 0.9893558733987957 1.0003652856180716 1.1200824165720518 1.161758470281065 1.1311086847333414 1.2432006442747368 1.23654783793469 1.251448612025644 1.1136519435435563 1.207437574858881 1.1546659692194907 1.1862450383795895 1.1253419599170191 1.1007857913645924 1.021398913967499 0.9230101528293175 0.8443351198628033 0.7821716416867072 0.7120947724433765 0.014918055665467021 ] } "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 ] } }