{ "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" 3.6583648324012783 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658364832401279e-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" [ 2.56485414055959 2.21971978392541 2.21149446280575 2.24589620947672 2.2611965315436 2.23472587048248 2.28397461799447 2.34396951151776 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.56485414055959e-10 2.21971978392541e-10 2.21149446280575e-10 2.24589620947672e-10 2.2611965315436e-10 2.23472587048248e-10 2.28397461799447e-10 2.34396951151776e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -1.0719268337526477 -4.349469241200125 -3.7967356086490653 -1.821864165464534 -2.6917515362147086 -1.7668436920884871 -5.498775276418358 -2.53154896633809 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -1.071926833752648 -4.349469241200125 -3.796735608649065 -1.821864165464534 -2.691751536214709 -1.766843692088487 -5.498775276418358 -2.53154896633809 ] } "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 ] } }