{ "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" 2.863645762205124 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.863645762205124e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.47653260902463 2.31297763538991 2.32387542786989 2.33056435324791 2.28405711040719 2.32852556328027 2.30831906144932 2.31478197518409 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.47653260902463e-10 2.31297763538991e-10 2.32387542786989e-10 2.33056435324791e-10 2.28405711040719e-10 2.32852556328027e-10 2.30831906144932e-10 2.31478197518409e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01618139415307659 1.1211591814590642 1.144518166893111 1.1029153270214924 1.0954499685817842 0.9668281656041325 0.8611179032698486 0.325073895733142 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01618139415307659 1.121159181459064 1.144518166893111 1.102915327021492 1.095449968581784 0.9668281656041325 0.8611179032698486 0.325073895733142 ] } "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 ] } }