{ "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" 3.52000077366829 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.52000077366829e-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" [ 2.46881735942686 2.23014183585595 2.24924687992758 2.26583932460859 2.2916513466216 2.27651124929112 2.27779926782604 2.34963925322021 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.46881735942686e-10 2.23014183585595e-10 2.24924687992758e-10 2.26583932460859e-10 2.2916513466216e-10 2.27651124929112e-10 2.27779926782604e-10 2.34963925322021e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.022234125986080808 1.5793110225860882 1.6013285918077478 1.6312043717175964 1.5824908265202555 1.5672397192186054 1.569454045401867 1.4033643873082107 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02223412598608081 1.579311022586088 1.601328591807748 1.631204371717596 1.582490826520256 1.567239719218605 1.569454045401867 1.403364387308211 ] } "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 ] } }