{ "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" 3.5200000256299973 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.520000025629997e-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" [ 2.47052636100797 2.20941768953596 2.2584733247621 2.22360202399859 2.27589182484695 2.23523305122132 2.2175178360421 2.37521290848577 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.47052636100797e-10 2.20941768953596e-10 2.2584733247621e-10 2.22360202399859e-10 2.27589182484695e-10 2.23523305122132e-10 2.2175178360421e-10 2.37521290848577e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.02222573485599423 1.3124039731563686 1.3252105139092896 1.3144387652965026 1.2314687747016047 1.2603596322357395 1.321639424487642 1.175310196340965 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02222573485599423 1.312403973156369 1.32521051390929 1.314438765296503 1.231468774701605 1.26035963223574 1.321639424487642 1.175310196340965 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "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 ] } }