{ "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" 3.613315641880036 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.613315641880036e-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" [ 2.53365452948367 2.27713956341318 2.28340417290377 2.29662578332661 2.31425333891288 2.30088972893083 2.27665621596385 2.3865426110734 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.53365452948367e-10 2.27713956341318e-10 2.28340417290377e-10 2.29662578332661e-10 2.31425333891288e-10 2.30088972893083e-10 2.27665621596385e-10 2.3865426110734e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01677836455631367 1.0542893193672773 1.0552897913155925 1.0473226638709645 1.0074928030007964 0.9906720066540379 1.0268223708904989 0.9446162748826987 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01677836455631367 1.054289319367277 1.055289791315593 1.047322663870965 1.007492803000796 0.9906720066540379 1.026822370890499 0.9446162748826987 ] } "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 ] } }