{ "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" 3.615000084042549 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.615000084042549e-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" [ 2.53343653005562 2.29062222795463 2.26867600242837 2.30038102673521 2.33208579578285 2.32317287045544 2.3170197822581 2.3096470325386 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.53343653005562e-10 2.29062222795463e-10 2.26867600242837e-10 2.30038102673521e-10 2.33208579578285e-10 2.32317287045544e-10 2.3170197822581e-10 2.3096470325386e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.016769521412471594 0.9221540028151994 0.9290241382782345 0.9450336054938051 0.896081681935974 0.9008846057646086 0.9056126375407466 0.8255789645642432 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01676952141247159 0.9221540028151994 0.9290241382782345 0.9450336054938051 0.896081681935974 0.9008846057646086 0.9056126375407466 0.8255789645642432 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "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 ] } }