{ "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" 3.79999965429306 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.79999965429306e-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" [ 2.66335609763592 2.43905632612316 2.44237333507421 2.4176995569124 2.49488110018679 2.47480559573737 2.39091151122406 2.47421587094877 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.66335609763592e-10 2.43905632612316e-10 2.44237333507421e-10 2.4176995569124e-10 2.49488110018679e-10 2.47480559573737e-10 2.39091151122406e-10 2.47421587094877e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.024583497904191516 1.5973209702614186 1.594157161504615 1.618873268651323 1.539779483770925 1.5075978670002046 1.6697600540848954 1.5098639568910064 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02458349790419152 1.597320970261419 1.594157161504615 1.618873268651323 1.539779483770925 1.507597867000205 1.669760054084895 1.509863956891006 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Rh" "Rh" "Rh" "Rh" ] } "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 ] } }