{ "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" 3.613315641880036 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.613315641880036e-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" [ 2.53110370147003 2.25822681945616 2.25286547622995 2.26881374248834 2.26639707154183 2.27518563699497 2.21696867912052 2.27524894300897 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.53110370147003e-10 2.25822681945616e-10 2.25286547622995e-10 2.26881374248834e-10 2.26639707154183e-10 2.27518563699497e-10 2.21696867912052e-10 2.27524894300897e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.016739188748940714 1.0743579604808855 1.081477156113971 1.0957902096416052 0.9699374087896411 0.9816318377741564 1.0806167191213139 1.0225168616189446 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01673918874894071 1.074357960480885 1.081477156113971 1.095790209641605 0.9699374087896411 0.9816318377741564 1.080616719121314 1.022516861618945 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "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 ] } }