{ "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" 3.987558534741402 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.987558534741402e-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" [ 2.79402499945626 2.52978373140803 2.54789450712837 2.52627457151342 2.56251870119175 2.57566771095036 2.56207072744773 2.66562286101609 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.79402499945626e-10 2.52978373140803e-10 2.54789450712837e-10 2.52627457151342e-10 2.56251870119175e-10 2.57566771095036e-10 2.56207072744773e-10 2.66562286101609e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.0061561901776180225 0.6124078761570505 0.6170488222801158 0.6216981871912832 0.5862650828253266 0.6014281066080231 0.5790268618419159 0.48127424980457684 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.006156190177618022 0.6124078761570505 0.6170488222801158 0.6216981871912832 0.5862650828253266 0.6014281066080231 0.5790268618419159 0.4812742498045768 ] } "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 ] } }