{ "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" 3.658403597772121 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658403597772121e-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" [ 2.42561416613618 2.18681163874089 2.18486237048893 2.19358736297535 2.20262790893055 2.21128923490785 2.22052608049786 2.3204999466989 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.42561416613618e-10 2.18681163874089e-10 2.18486237048893e-10 2.19358736297535e-10 2.20262790893055e-10 2.21128923490785e-10 2.22052608049786e-10 2.3204999466989e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -2.464945257576198 -4.36281953538335 -4.550402038922838 -2.170283441697563 -3.3010954189632136 -2.1792325650270206 -6.389765661115208 -3.0175374942958078 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -2.464945257576198 -4.36281953538335 -4.550402038922838 -2.170283441697563 -3.301095418963214 -2.179232565027021 -6.389765661115208 -3.017537494295808 ] } "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 ] } }