{ "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" 3.519618335366251 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.519618335366251e-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" [ 2.46960122848309 2.1998754643688 2.19333410384874 2.23491084342114 2.26898901071965 2.26519925831471 2.25655837966451 2.35296240114886 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.46960122848309e-10 2.1998754643688e-10 2.19333410384874e-10 2.23491084342114e-10 2.26898901071965e-10 2.26519925831471e-10 2.25655837966451e-10 2.35296240114886e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.02242368703031951 1.265026980927579 1.2666493921050048 1.2911918672527212 1.2383446985774327 1.253180960954069 1.2643105508759713 1.1025443715645409 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02242368703031951 1.265026980927579 1.266649392105005 1.291191867252721 1.238344698577433 1.253180960954069 1.264310550875971 1.102544371564541 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "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 ] } }