{ "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" 3.5937291532754903 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.59372915327549e-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" [ 2.51859831442137 2.28029099488303 2.30210634292284 2.30009978556035 2.32115716289601 2.28466826807333 2.27091184720338 2.39998945875198 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.51859831442137e-10 2.28029099488303e-10 2.30210634292284e-10 2.30009978556035e-10 2.32115716289601e-10 2.28466826807333e-10 2.27091184720338e-10 2.39998945875198e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.02046824766837301 1.08827567924811 1.1045374863712125 1.1094087592835138 1.0325372501044758 1.0386626103918652 0.993156649213439 0.8078235845757858 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02046824766837301 1.08827567924811 1.104537486371213 1.109408759283514 1.032537250104476 1.038662610391865 0.993156649213439 0.8078235845757858 ] } "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 ] } }