{ "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" 3.623951092362404 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.623951092362404e-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" [ 2.41984514691636 2.20558646101403 2.24528915606675 2.22838953646988 2.27956364396031 2.33384414664421 2.2029024104325 2.3416730233929 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.41984514691636e-10 2.20558646101403e-10 2.24528915606675e-10 2.22838953646988e-10 2.27956364396031e-10 2.33384414664421e-10 2.2029024104325e-10 2.3416730233929e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -1.0268075406914188 -3.9651074921611293 -3.1645791955332334 -1.3799659855341455 -2.1521093346380766 -1.303515736116671 -4.45568145723039 -2.5047331669590402 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -1.026807540691419 -3.965107492161129 -3.164579195533233 -1.379965985534146 -2.152109334638077 -1.303515736116671 -4.45568145723039 -2.50473316695904 ] } "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 ] } }