{ "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" 4.182049587368965 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.182049587368965e-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" [ 2.92658019575879 2.68530934148575 2.72983983743734 2.67762774620259 2.71473320427825 2.71637304303163 2.65336236170131 2.73544440672488 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.92658019575879e-10 2.68530934148575e-10 2.72983983743734e-10 2.67762774620259e-10 2.71473320427825e-10 2.71637304303163e-10 2.65336236170131e-10 2.73544440672488e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.013773874173394532 0.4046441974095531 0.37186865455022833 0.36924557714126127 0.3509462352982712 0.3525269297474633 0.38602549796440994 0.35604873059992037 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01377387417339453 0.4046441974095531 0.3718686545502283 0.3692455771412613 0.3509462352982712 0.3525269297474633 0.3860254979644099 0.3560487305999204 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" ] } "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 ] } }