{ "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" 3.523999765515327 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.523999765515327e-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" [ 2.46955290183404 2.22754408567191 2.20751937970964 2.21922942332935 2.24251749617375 2.27216966087528 2.18963599918359 2.3081434196708 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.46955290183404e-10 2.22754408567191e-10 2.20751937970964e-10 2.21922942332935e-10 2.24251749617375e-10 2.27216966087528e-10 2.18963599918359e-10 2.3081434196708e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.022072634715325223 1.3006141449440236 1.3210594478442887 1.3354362612937127 1.2735749450257352 1.2505199171808807 1.296408660551931 1.356023588777088 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02207263471532522 1.300614144944024 1.321059447844289 1.335436261293713 1.273574945025735 1.250519917180881 1.296408660551931 1.356023588777088 ] } "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 ] } }