{ "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" 3.8890872895717616 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.889087289571762e-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" [ 2.72639024001621 2.41016763321107 2.45070386300361 2.41910206831699 2.47995143221187 2.43129948373865 2.38948944155806 2.4307258156826 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.72639024001621e-10 2.410167633211071e-10 2.45070386300361e-10 2.41910206831699e-10 2.47995143221187e-10 2.43129948373865e-10 2.38948944155806e-10 2.4307258156826e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.015959685254590846 1.389956672218448 1.386525202395483 1.4938667842378448 1.29644149240292 1.4168074304569906 1.5736510047462748 1.3213646877208995 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01595968525459085 1.389956672218448 1.386525202395483 1.493866784237845 1.29644149240292 1.416807430456991 1.573651004746275 1.3213646877209 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Pd" "Pd" "Pd" "Pd" ] } "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 ] } }