{ "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" 4.040926471352577 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.040926471352577e-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" [ 2.83169727131096 2.54521758060352 2.54434285978992 2.55556073358091 2.60887232389063 2.52681354795325 2.52965175550809 2.67073071727407 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.83169727131096e-10 2.54521758060352e-10 2.54434285978992e-10 2.55556073358091e-10 2.60887232389063e-10 2.52681354795325e-10 2.52965175550809e-10 2.67073071727407e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.014791980249901705 0.5656407364337922 0.5719024159831871 0.5662372072902309 0.5331359223731204 0.5295490552208316 0.5625381204322828 0.5014930386838807 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.0147919802499017 0.5656407364337922 0.5719024159831871 0.5662372072902309 0.5331359223731204 0.5295490552208316 0.5625381204322828 0.5014930386838807 ] } "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 ] } }