{ "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" 3.567322969436645 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.567322969436645e-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" [ 2.48384306063582 2.24993300087738 2.28476659585499 2.28025364289215 2.2581238833068 2.25911181504044 2.23577994969426 2.38819964817088 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.48384306063582e-10 2.24993300087738e-10 2.28476659585499e-10 2.28025364289215e-10 2.2581238833068e-10 2.25911181504044e-10 2.23577994969426e-10 2.38819964817088e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -0.19128593627366522 0.6338312209709885 0.6483019359389269 0.6530898985508732 0.5484974034202506 0.5937147784014137 0.4398821018630542 0.2783631471600781 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -0.1912859362736652 0.6338312209709885 0.6483019359389269 0.6530898985508732 0.5484974034202506 0.5937147784014137 0.4398821018630542 0.2783631471600781 ] } "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 ] } }