{ "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" 3.498696342110634 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.498696342110634e-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" [ 2.45817739922511 2.20671966136549 2.20197910037103 2.23253431862159 2.27813409902263 2.16069454265073 2.18401025641168 2.32762048172253 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.45817739922511e-10 2.20671966136549e-10 2.20197910037103e-10 2.23253431862159e-10 2.27813409902263e-10 2.16069454265073e-10 2.18401025641168e-10 2.32762048172253e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.020810934124311262 1.2451208217287864 1.208822611770412 1.2698546297904914 1.1911219142844278 1.229256106561998 1.223843749932741 1.0447791528153891 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02081093412431126 1.245120821728786 1.208822611770412 1.269854629790491 1.191121914284428 1.229256106561998 1.223843749932741 1.044779152815389 ] } "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 ] } }