{ "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" 3.628442171216013 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.628442171216013e-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" [ 2.44188190064946 2.26847535163542 2.27030477402484 2.25094947935286 2.28123888008855 2.27211114783975 2.26652031187089 2.36103229148356 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.44188190064946e-10 2.26847535163542e-10 2.27030477402484e-10 2.25094947935286e-10 2.28123888008855e-10 2.27211114783975e-10 2.26652031187089e-10 2.36103229148356e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -2.209671971150528 -3.077941230897338 -3.275664538585242 -1.1461576857047513 -2.0765658318059743 -1.4414540556801503 -4.351694796758958 -1.1873748946923983 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -2.209671971150528 -3.077941230897338 -3.275664538585242 -1.146157685704751 -2.076565831805974 -1.44145405568015 -4.351694796758958 -1.187374894692398 ] } "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 ] } }