{ "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" 4.0469995588064185 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.046999558806419e-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" [ 2.83376101481579 2.43468209674314 2.44021632766519 2.48596778010502 2.55854317845657 2.42792206453768 2.49049896960213 2.61192201155016 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.83376101481579e-10 2.43468209674314e-10 2.44021632766519e-10 2.48596778010502e-10 2.55854317845657e-10 2.42792206453768e-10 2.49049896960213e-10 2.61192201155016e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.012688120962586414 0.4146068794583844 0.3863693051935807 0.40533330530879447 0.3102444847005989 0.3434680502994291 0.3839255272968451 0.4241548222642225 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01268812096258641 0.4146068794583844 0.3863693051935807 0.4053333053087945 0.3102444847005989 0.3434680502994291 0.3839255272968451 0.4241548222642225 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" ] } "tilt-angle" { "source-value" [ 0.0 24.43269767945453 27.79577249602797 32.20422750397202 38.21321070173819 46.82644889274107 52.659006983369785 59.99999999999999 ] "source-unit" "degrees" "si-unit" "radian" "si-value" [ 0.0 0.4264310196508597 0.4851277481909706 0.562069803005627 0.6669463445036643 0.8172757101951847 0.9190730526904897 1.047197551196598 ] } "tilt-axis" { "source-value" [ 1 1 1 ] } }