{ "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" 3.658099144697189 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658099144697189e-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" [ 2.42240924600496 2.18561569221586 2.20320243933706 2.25309676561908 2.23055896117067 2.21268704044202 2.22363426873421 2.31829881758957 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.42240924600496e-10 2.18561569221586e-10 2.20320243933706e-10 2.25309676561908e-10 2.23055896117067e-10 2.21268704044202e-10 2.22363426873421e-10 2.31829881758957e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -2.438748441294939 -4.431408082994563 -4.706470021099158 -2.0741949359992167 -3.202702239812736 -2.1391870266025035 -6.38302124333729 -2.8617523641167466 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -2.438748441294939 -4.431408082994563 -4.706470021099158 -2.074194935999217 -3.202702239812736 -2.139187026602503 -6.38302124333729 -2.861752364116747 ] } "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 ] } }