{ "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" 3.52732940018177 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.52732940018177e-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" [ 2.46927882318202 2.2138895485271 2.21764430757648 2.21254059634326 2.25788465601837 2.23502449505036 2.1972823365403 2.33834324139233 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.46927882318202e-10 2.2138895485271e-10 2.21764430757648e-10 2.21254059634326e-10 2.25788465601837e-10 2.23502449505036e-10 2.1972823365403e-10 2.33834324139233e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.020808005788622838 1.9114459574239437 1.91065473120437 1.932960123955132 1.8502850754586166 1.7379757158031464 1.7856345882755649 1.644067939682113 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02080800578862284 1.911445957423944 1.91065473120437 1.932960123955132 1.850285075458617 1.737975715803146 1.785634588275565 1.644067939682113 ] } "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 ] } }