{ "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" 4.045259781181812 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.045259781181812e-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" [ 2.83623859305683 2.40990123217113 2.49384538086595 2.43089736712141 2.62664170835725 2.45995139319374 2.39560081098931 2.54962334678499 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.83623859305683e-10 2.40990123217113e-10 2.49384538086595e-10 2.43089736712141e-10 2.62664170835725e-10 2.45995139319374e-10 2.39560081098931e-10 2.54962334678499e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.012865973635202215 0.5554124822315074 0.5625745743435998 0.5701436312484457 0.5398670895003642 0.5420589926655562 0.6203289189111214 0.6068208537050347 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01286597363520221 0.5554124822315074 0.5625745743435998 0.5701436312484457 0.5398670895003642 0.5420589926655562 0.6203289189111214 0.6068208537050347 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" ] } "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 ] } }