{ "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" 2.855324894189835 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.855324894189835e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.44044869483913 2.24753952362847 2.25000307075021 2.24103536442224 2.24515585491858 2.24535229708179 2.23951772261918 2.29540639517817 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.44044869483913e-10 2.24753952362847e-10 2.25000307075021e-10 2.24103536442224e-10 2.24515585491858e-10 2.24535229708179e-10 2.23951772261918e-10 2.29540639517817e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.015606668954780613 1.1460215510079206 1.1612175240652378 1.2100400966850233 1.1347567192714587 1.0605631822445634 0.9019578053913078 0.368915155956791 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01560666895478061 1.146021551007921 1.161217524065238 1.210040096685023 1.134756719271459 1.060563182244563 0.9019578053913078 0.368915155956791 ] } "short-name" { "source-value" [ "bcc" ] } "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 ] } }