{ "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" 4.025435209274292 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.025435209274292e-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" [ 2.8202655319966 2.54935070445289 2.54332375642776 2.50811394966384 2.5451262122787 2.53214628405413 2.50597806840798 2.57202302302672 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.8202655319966e-10 2.54935070445289e-10 2.54332375642776e-10 2.50811394966384e-10 2.5451262122787e-10 2.53214628405413e-10 2.50597806840798e-10 2.57202302302672e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01288005225734787 0.5616540732336956 0.5643457036634153 0.5558871210032735 0.5181437835927772 0.5152066963795408 0.5208577179956094 0.5952540294032334 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01288005225734787 0.5616540732336956 0.5643457036634153 0.5558871210032735 0.5181437835927772 0.5152066963795408 0.5208577179956094 0.5952540294032334 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" ] } "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 ] } }