{ "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" 3.498696342110634 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.498696342110634e-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" [ 2.43119260326455 2.19897583855711 2.21921889069949 2.1681248550524 2.16511672597409 2.13490026363332 2.14576612550919 2.1478422418169 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.43119260326455e-10 2.19897583855711e-10 2.21921889069949e-10 2.1681248550524e-10 2.16511672597409e-10 2.13490026363332e-10 2.14576612550919e-10 2.1478422418169e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.020762154992708146 1.213927994549928 1.204446603794043 1.2259624477502458 1.1249108827766015 1.186738151565893 1.254706358053279 1.2664278028236928 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02076215499270815 1.213927994549928 1.204446603794043 1.225962447750246 1.124910882776601 1.186738151565893 1.254706358053279 1.266427802823693 ] } "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 ] } }