{ "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" 3.6583648025989532 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658364802598953e-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" [ 2.38582488108025 2.19407571739616 2.1825415040557 2.21874487606955 2.23904112569185 2.2247835322502 2.22804936584999 2.32282659587344 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.38582488108025e-10 2.19407571739616e-10 2.1825415040557e-10 2.21874487606955e-10 2.23904112569185e-10 2.2247835322502e-10 2.22804936584999e-10 2.32282659587344e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -2.482115154951532 -4.226089000415405 -4.493154839768558 -2.1030781643211514 -3.1058580770377335 -2.1150167004378972 -6.367640467496872 -2.795376648878657 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -2.482115154951532 -4.226089000415405 -4.493154839768558 -2.103078164321151 -3.105858077037734 -2.115016700437897 -6.367640467496872 -2.795376648878657 ] } "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 ] } }