{ "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" 3.5213917568326 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.5213917568326e-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" [ 2.41252083636426 2.22977224791007 2.19533904708254 2.20398139609407 2.26497009653051 2.27403465403195 2.17470496203962 2.25451257020197 2.18810657779768 2.20406300725801 2.19300781204479 2.24728082231241 2.20286144987034 2.2171392124682 2.20494285571367 2.23189627568152 2.16761690052819 2.23080972785191 2.19611378741086 2.18143274341877 2.24958426380637 2.25090500114647 2.4847372122012 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.41252083636426e-10 2.2297722479100699e-10 2.1953390470825398e-10 2.2039813960940702e-10 2.2649700965305102e-10 2.2740346540319499e-10 2.1747049620396204e-10 2.2545125702019701e-10 2.18810657779768e-10 2.20406300725801e-10 2.1930078120447898e-10 2.2472808223124103e-10 2.20286144987034e-10 2.2171392124682e-10 2.20494285571367e-10 2.2318962756815203e-10 2.1676169005281901e-10 2.2308097278519102e-10 2.19611378741086e-10 2.1814327434187703e-10 2.24958426380637e-10 2.25090500114647e-10 2.4847372122012004e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.018141504553573082 1.1712953600033431 1.212995769935418 1.251134526810256 1.281192872475376 1.293003200494488 1.3228468141140122 1.233687997842713 1.3601695010910582 1.3706218947216546 1.3923843307430124 1.2830163350714858 1.3067018061703028 1.2479836428502986 1.2490583523744156 1.1523801081038476 1.1191962058713003 1.0354538025778413 0.9240169302274033 0.8432403589195734 0.7786339203991263 0.7046792612760892 0.020517294603571254 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.018141504553573082 1.1712953600033431 1.212995769935418 1.251134526810256 1.281192872475376 1.293003200494488 1.3228468141140122 1.233687997842713 1.3601695010910582 1.3706218947216546 1.3923843307430124 1.2830163350714858 1.3067018061703028 1.2479836428502986 1.2490583523744156 1.1523801081038476 1.1191962058713003 1.0354538025778413 0.9240169302274033 0.8432403589195734 0.7786339203991263 0.7046792612760892 0.020517294603571254 ] } "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" [ "Ni" "Ni" "Ni" "Ni" ] } "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 ] } }