{ "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" 4.078000083565712 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.078000083565712e-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" [ 2.85929390063296 2.58856560022168 2.62594098293482 2.60385230255752 2.61870607363864 2.5698832001111 2.58098786474714 2.64267886852384 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.85929390063296e-10 2.58856560022168e-10 2.62594098293482e-10 2.60385230255752e-10 2.61870607363864e-10 2.5698832001111e-10 2.58098786474714e-10 2.64267886852384e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01406477495149808 0.786177713781652 0.7835281527497483 0.7903853733328847 0.7439050711599575 0.7887168283757294 0.7860134762721939 0.7744081849468385 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01406477495149808 0.786177713781652 0.7835281527497483 0.7903853733328847 0.7439050711599575 0.7887168283757294 0.7860134762721939 0.7744081849468385 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" ] } "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 ] } }