{ "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" 4.0729350447654715 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.072935044765472e-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" [ 2.85418048520247 2.54923607817968 2.59711287944323 2.55283140162451 2.62107922680415 2.58593099213419 2.58308044420199 2.62909443046899 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.85418048520247e-10 2.54923607817968e-10 2.59711287944323e-10 2.55283140162451e-10 2.62107922680415e-10 2.585930992134191e-10 2.58308044420199e-10 2.62909443046899e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.014625830260872587 0.7773824394634954 0.7392244612998395 0.8201579648656436 0.6796902286707048 0.6774683302571746 0.8129723458169088 0.6901995890992514 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01462583026087259 0.7773824394634954 0.7392244612998395 0.8201579648656436 0.6796902286707048 0.6774683302571746 0.8129723458169088 0.6901995890992514 ] } "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 ] } }