{ "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" 2.8664999604225163 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.866499960422516e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.45239377487333 2.29932867544883 2.28766644306006 2.25268764747147 2.29825325628651 2.28895667961206 2.29740302517048 2.39483370894448 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.45239377487333e-10 2.29932867544883e-10 2.28766644306006e-10 2.25268764747147e-10 2.29825325628651e-10 2.28895667961206e-10 2.29740302517048e-10 2.39483370894448e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.016212314314969584 1.3831657695926796 1.4049572849101433 1.384352464295392 1.3792956150277376 1.2309760937650271 1.0849099586776052 0.43249262709223296 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01621231431496958 1.38316576959268 1.404957284910143 1.384352464295392 1.379295615027738 1.230976093765027 1.084909958677605 0.432492627092233 ] } "short-name" { "source-value" [ "bcc" ] } "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 ] } }