{ "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" 3.658403441309929 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658403441309929e-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" [ 2.42024268805608 2.20992913796563 2.18590435505087 2.21820700569869 2.17875854792636 2.22370882108 2.19112067196192 2.32050263062813 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.42024268805608e-10 2.20992913796563e-10 2.18590435505087e-10 2.21820700569869e-10 2.17875854792636e-10 2.22370882108e-10 2.19112067196192e-10 2.32050263062813e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -2.4653902903966265 -4.34833973486966 -4.399087383475845 -2.0999905117512556 -3.124032561226546 -2.183985737668773 -6.423130707244241 -3.0312863850637672 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -2.465390290396626 -4.34833973486966 -4.399087383475845 -2.099990511751256 -3.124032561226546 -2.183985737668773 -6.423130707244241 -3.031286385063767 ] } "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 ] } }