{ "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" 3.889087237417698 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.889087237417698e-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" [ 2.72639062995062 2.41016725344853 2.44763227971433 2.40948377167267 2.4799307768875 2.43127832990655 2.39806394609898 2.43072981105596 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.72639062995062e-10 2.41016725344853e-10 2.44763227971433e-10 2.40948377167267e-10 2.4799307768875e-10 2.43127832990655e-10 2.39806394609898e-10 2.43072981105596e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.015959685686033467 1.3899571262886692 1.3007672605874023 1.5409488373815499 1.2964412437309283 1.3502297312864793 1.5470663876572077 1.3213615972932635 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01595968568603347 1.389957126288669 1.300767260587402 1.54094883738155 1.296441243730928 1.350229731286479 1.547066387657208 1.321361597293264 ] } "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 ] } }