{ "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" 3.608429037034512 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.608429037034512e-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" [ 2.52805482673921 2.22422701291635 2.27041166268254 2.25148504924354 2.24254671543449 2.25078827646042 2.17202899968815 2.25715881549369 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.52805482673921e-10 2.22422701291635e-10 2.27041166268254e-10 2.25148504924354e-10 2.24254671543449e-10 2.25078827646042e-10 2.17202899968815e-10 2.25715881549369e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.02022041215850705 0.920618921177218 0.8832252095499624 0.925894458973325 0.7918141178865454 0.8992249082774965 0.6561021631880176 0.6089137920705265 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02022041215850705 0.920618921177218 0.8832252095499624 0.925894458973325 0.7918141178865454 0.8992249082774965 0.6561021631880176 0.6089137920705265 ] } "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 ] } }