{ "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" 3.920000053942204 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.920000053942204e-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" [ 2.74306737836257 2.44483424371081 2.45071002249597 2.42651386278897 2.48860280777554 2.46534937133213 2.44803431798687 2.56342948263895 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.74306737836257e-10 2.44483424371081e-10 2.45071002249597e-10 2.42651386278897e-10 2.48860280777554e-10 2.46534937133213e-10 2.44803431798687e-10 2.56342948263895e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.02318177110536088 0.9718546917952477 0.9349953440206554 0.95957737529178 0.9260741182087862 0.8630733821098276 0.8988646427462116 0.8520021449105186 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02318177110536088 0.9718546917952477 0.9349953440206554 0.95957737529178 0.9260741182087862 0.8630733821098276 0.8988646427462116 0.8520021449105186 ] } "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 ] } }