{ "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" 3.520024351775646 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.520024351775646e-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" [ 2.46608549525409 2.17389865494786 2.18283947380474 2.17442347743048 2.20143287832567 2.11267272034058 2.13998551196073 2.28063492594204 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.46608549525409e-10 2.17389865494786e-10 2.18283947380474e-10 2.17442347743048e-10 2.20143287832567e-10 2.11267272034058e-10 2.13998551196073e-10 2.28063492594204e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.022032117256574817 1.4030371680865559 1.398427063666404 1.407124525992884 1.3804047047235364 1.3457086406841938 1.3488799227341148 1.3821273292723606 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02203211725657482 1.403037168086556 1.398427063666404 1.407124525992884 1.380404704723536 1.345708640684194 1.348879922734115 1.382127329272361 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "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 ] } }