{ "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" 3.61105090379715 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.61105090379715e-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" [ 2.53517022778854 2.2639894072471 2.29673457476182 2.28206040137623 2.30354276966066 2.33630160167429 2.30045943110176 2.32144553180786 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.53517022778854e-10 2.2639894072471e-10 2.29673457476182e-10 2.28206040137623e-10 2.30354276966066e-10 2.33630160167429e-10 2.30045943110176e-10 2.32144553180786e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.019771481998370713 1.8306574097629513 1.8841840246074268 1.8924944315522794 1.7764048809271142 1.7325753050510786 1.717654813210218 1.4622064634598788 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01977148199837071 1.830657409762951 1.884184024607427 1.892494431552279 1.776404880927114 1.732575305051079 1.717654813210218 1.462206463459879 ] } "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 ] } }