{ "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" 3.6111526265740403 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.61115262657404e-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" [ 2.5320044382171 2.25327271156574 2.27796823178644 2.24688412372776 2.32887192134482 2.25278863496013 2.23736770235613 2.26200522288624 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.5320044382171e-10 2.25327271156574e-10 2.27796823178644e-10 2.24688412372776e-10 2.32887192134482e-10 2.25278863496013e-10 2.23736770235613e-10 2.26200522288624e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.0201776169424856 1.3778877468010107 1.3907597250660733 1.4187332879468397 1.3625046385372102 1.3620950500052862 1.299974049888679 1.31598799124066 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.0201776169424856 1.377887746801011 1.390759725066073 1.41873328794684 1.36250463853721 1.362095050005286 1.299974049888679 1.31598799124066 ] } "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 ] } }