{ "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" 3.9756741225719447 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.975674122571945e-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" [ 2.78434787890414 2.51175252710176 2.49885974537943 2.49932551450808 2.54134428167841 2.52000475796777 2.47361438825376 2.53067366096669 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.78434787890414e-10 2.51175252710176e-10 2.49885974537943e-10 2.49932551450808e-10 2.54134428167841e-10 2.52000475796777e-10 2.47361438825376e-10 2.53067366096669e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.021506077239974577 1.0662382597289222 1.06607630327579 1.0710060483881942 1.017048688611319 0.9736612479095572 1.0406198159040199 1.030213211819669 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02150607723997458 1.066238259728922 1.06607630327579 1.071006048388194 1.017048688611319 0.9736612479095572 1.04061981590402 1.030213211819669 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Pt" "Pt" "Pt" "Pt" ] } "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 ] } }