{ "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" 3.615000084042549 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.615000084042549e-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" [ 2.53097840824422 2.28704246145251 2.30353977963964 2.30273827780618 2.30791657222933 2.32245211565664 2.26909121504249 2.38823697222536 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.53097840824422e-10 2.28704246145251e-10 2.30353977963964e-10 2.30273827780618e-10 2.30791657222933e-10 2.32245211565664e-10 2.26909121504249e-10 2.38823697222536e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.016721839870564987 0.9245436030159555 0.918769241514848 0.9198569598267747 0.8858083324704444 0.8534591704373736 0.889300065187326 0.9015682310874386 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01672183987056499 0.9245436030159555 0.918769241514848 0.9198569598267747 0.8858083324704444 0.8534591704373736 0.889300065187326 0.9015682310874386 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "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 ] } }