{ "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" [ 2.5275189283169 2.25114334986602 2.29163509212484 2.29266655867628 2.22866561100439 2.31020690451193 2.26590973092273 2.41633455622347 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.5275189283169e-10 2.25114334986602e-10 2.29163509212484e-10 2.29266655867628e-10 2.22866561100439e-10 2.31020690451193e-10 2.26590973092273e-10 2.41633455622347e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.020083763318590398 0.7551812225063944 0.7314226715409917 0.5231694682953802 0.6718569731151718 0.2706373560886988 -1.1103160400289518 0.44206308414427414 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.0200837633185904 0.7551812225063944 0.7314226715409917 0.5231694682953802 0.6718569731151718 0.2706373560886988 -1.110316040028952 0.4420630841442741 ] } "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 ] } }