{ "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" 3.619543239474297 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.619543239474297e-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" [ 2.53328982333725 2.18033917896301 2.20586707525385 2.19328201551429 2.27473923916581 2.16353432689366 2.15385802973337 2.36888831998874 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.53328982333725e-10 2.18033917896301e-10 2.20586707525385e-10 2.19328201551429e-10 2.27473923916581e-10 2.16353432689366e-10 2.15385802973337e-10 2.36888831998874e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -0.09465689852292114 0.8449740858213924 0.8633556812305996 0.945408382847993 0.8880847797055395 0.9338564546716591 0.8405159911015057 0.7471470134739495 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -0.09465689852292114 0.8449740858213924 0.8633556812305996 0.945408382847993 0.8880847797055395 0.9338564546716591 0.8405159911015057 0.7471470134739495 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "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 ] } }