{ "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" 3.700485944747925 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.700485944747925e-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" [ 2.59750769022746 2.31553191210143 2.31936877881028 2.28039108584093 2.33112534485532 2.29641546961766 2.26129085529456 2.31714534162954 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.59750769022746e-10 2.31553191210143e-10 2.31936877881028e-10 2.28039108584093e-10 2.33112534485532e-10 2.29641546961766e-10 2.26129085529456e-10 2.31714534162954e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.006832188116866512 1.2215880270509196 1.237482214472254 1.262352693914314 1.2082024485314407 1.210168906209996 1.1427036885092643 0.8359981070774606 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.006832188116866512 1.22158802705092 1.237482214472254 1.262352693914314 1.208202448531441 1.210168906209996 1.142703688509264 0.8359981070774606 ] } "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 ] } }