{ "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" 2.850243076682091 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.850243076682091e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.43801598117511 2.26869456976129 2.18821039135963 2.19771871888235 2.27976556549561 2.25540699886636 2.28472363758328 2.36066836690795 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.43801598117511e-10 2.26869456976129e-10 2.18821039135963e-10 2.19771871888235e-10 2.27976556549561e-10 2.25540699886636e-10 2.28472363758328e-10 2.36066836690795e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01630199471662238 1.1010236918429421 1.1103611930284976 1.1529340109244994 1.0764596758070952 0.9695647417190432 0.8485801163815003 0.36188404811131536 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01630199471662238 1.101023691842942 1.110361193028498 1.152934010924499 1.076459675807095 0.9695647417190432 0.8485801163815003 0.3618840481113154 ] } "short-name" { "source-value" [ "bcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "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 ] } }