{ "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" 3.56183634698391 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.56183634698391e-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" [ 2.49353296433648 2.22904114498126 2.24192749097212 2.2367448723321 2.27319405211833 2.25087638258737 2.24607449941087 2.35995545455622 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.49353296433648e-10 2.22904114498126e-10 2.24192749097212e-10 2.2367448723321e-10 2.27319405211833e-10 2.25087638258737e-10 2.24607449941087e-10 2.35995545455622e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01917043439119883 1.7628424509299145 1.722466344350902 1.83447432526828 1.7284933227048558 1.6152910935835647 1.665945418421001 1.5429451970832893 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01917043439119883 1.762842450929915 1.722466344350902 1.83447432526828 1.728493322704856 1.615291093583565 1.665945418421001 1.542945197083289 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "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 ] } }