{ "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" 3.521391808986664 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.521391808986664e-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" [ 2.46827091477743 2.23841338699701 2.23822149986998 2.26883035578371 2.24231627759305 2.21759697561905 2.18367090320397 2.2234300900938 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.46827091477743e-10 2.23841338699701e-10 2.23822149986998e-10 2.26883035578371e-10 2.24231627759305e-10 2.21759697561905e-10 2.18367090320397e-10 2.2234300900938e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.022155127733668296 1.2931709900783315 1.266395528038039 1.2791617492792475 1.2218854372424368 1.2225468406440445 1.3023190256228963 1.2419695198799299 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.0221551277336683 1.293170990078331 1.266395528038039 1.279161749279248 1.221885437242437 1.222546840644045 1.302319025622896 1.24196951987993 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Pt" "Pt" "Pt" "Pt" ] } "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 ] } }