{ "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" 3.614999994635582 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.614999994635582e-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" [ 2.53343649873179 2.27358910823457 2.26861596528581 2.2965342168711 2.33208583113311 2.32808177258844 2.31702116862161 2.41619507851929 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.53343649873179e-10 2.27358910823457e-10 2.26861596528581e-10 2.2965342168711e-10 2.33208583113311e-10 2.32808177258844e-10 2.31702116862161e-10 2.41619507851929e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.016767768365016766 0.9223121442234242 0.9362771786286975 0.945882495339756 0.8960798170115845 0.900883074550452 0.9056098634809353 0.7118043918356282 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01676776836501677 0.9223121442234242 0.9362771786286975 0.945882495339756 0.8960798170115845 0.900883074550452 0.9056098634809353 0.7118043918356282 ] } "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 ] } }