{ "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 2.20941768953583 2.25847332476211 2.22360202400196 2.27589182484694 2.23523305122412 2.21751783604206 2.37521290837639 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.47052636100797e-10 2.20941768953583e-10 2.25847332476211e-10 2.22360202400196e-10 2.27589182484694e-10 2.23523305122412e-10 2.21751783604206e-10 2.37521290837639e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.02222805753554839 1.312407747170643 1.3252138476205033 1.3144406776176085 1.2314712108478545 1.260361630457876 1.3216430253685263 1.1753123307646576 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02222805753554839 1.312407747170643 1.325213847620503 1.314440677617609 1.231471210847854 1.260361630457876 1.321643025368526 1.175312330764658 ] } "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 ] } }