{ "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" 4.081654928624631 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.081654928624631e-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" [ 2.85868113183474 2.54639660956326 2.49743887106856 2.58235693701064 2.59941826351522 2.57451820761586 2.51763477744156 2.68494710179569 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.85868113183474e-10 2.54639660956326e-10 2.497438871068561e-10 2.58235693701064e-10 2.59941826351522e-10 2.57451820761586e-10 2.51763477744156e-10 2.68494710179569e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.013291512926443344 0.4034495562516571 0.4031629395220261 0.40340178201512994 0.3815058874534068 0.3885149818929759 0.4074553431724885 0.38288504688974606 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01329151292644334 0.4034495562516571 0.4031629395220261 0.4034017820151299 0.3815058874534068 0.3885149818929759 0.4074553431724885 0.3828850468897461 ] } "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 ] } }