{ "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" 3.614960163831712 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.614960163831712e-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" [ 2.53379783500466 2.29410544989104 2.2973730451192 2.27751123644388 2.36756802093322 2.32453473923132 2.31496600406034 2.36577712736497 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.53379783500466e-10 2.29410544989104e-10 2.2973730451192e-10 2.27751123644388e-10 2.36756802093322e-10 2.32453473923132e-10 2.31496600406034e-10 2.36577712736497e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.016722186383359535 0.7772887450284701 0.7880220281515421 0.7919574976545735 0.7533952992630427 0.746930866631169 0.7656725445851571 0.8144207086076897 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01672218638335954 0.7772887450284701 0.7880220281515421 0.7919574976545735 0.7533952992630427 0.746930866631169 0.7656725445851571 0.8144207086076897 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "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 ] } }