{ "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" 3.8000004738569264 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.800000473856927e-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" [ 2.66538377685293 2.41154184078086 2.38915357394188 2.35545670586946 2.37509121917313 2.36957331136381 2.32435653425351 2.33927995380279 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.66538377685293e-10 2.41154184078086e-10 2.38915357394188e-10 2.35545670586946e-10 2.37509121917313e-10 2.36957331136381e-10 2.32435653425351e-10 2.33927995380279e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.024583487262163833 1.5606888048031413 1.562287005017683 1.5845520977151384 1.5149234359771278 1.4979945277220552 1.5947212321890565 1.5621170571642724 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02458348726216383 1.560688804803141 1.562287005017683 1.584552097715138 1.514923435977128 1.497994527722055 1.594721232189056 1.562117057164272 ] } "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 ] } }