{ "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" 3.520000764727593 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.520000764727593e-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" [ 2.46881736799747 2.23652571364307 2.24673140920933 2.26543965232721 2.29240791219559 2.28043527820206 2.2511705052279 2.34974235036056 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.46881736799747e-10 2.23652571364307e-10 2.24673140920933e-10 2.26543965232721e-10 2.29240791219559e-10 2.28043527820206e-10 2.2511705052279e-10 2.34974235036056e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.022234125864489928 1.579166683724872 1.6050696052262128 1.6238967331024794 1.5686281885527755 1.5673380413231994 1.5691659323434821 1.4200090868266635 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02223412586448993 1.579166683724872 1.605069605226213 1.623896733102479 1.568628188552776 1.567338041323199 1.569165932343482 1.420009086826663 ] } "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 ] } }