{ "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" 3.611098513007164 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.611098513007164e-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" [ 2.52980857234542 2.2656431199322 2.32166461439721 2.30724342976128 2.27654022488848 2.30255288581666 2.2214093795754 2.42042787341889 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.52980857234542e-10 2.2656431199322e-10 2.32166461439721e-10 2.30724342976128e-10 2.27654022488848e-10 2.30255288581666e-10 2.2214093795754e-10 2.42042787341889e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.020127268299761476 0.5127879695810819 0.6561143638673748 0.8079293546436872 0.7237132842000894 0.712844169052633 -0.9444739586385318 0.24583850998333512 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02012726829976148 0.5127879695810819 0.6561143638673748 0.8079293546436872 0.7237132842000894 0.712844169052633 -0.9444739586385318 0.2458385099833351 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "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 ] } }