{ "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" 3.521392315626145 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.521392315626145e-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" [ 2.37306341965246 2.18438689229583 2.20160268781915 2.23246491500221 2.22223021526666 2.17231265584531 2.14355718545194 2.21602620266266 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.37306341965246e-10 2.18438689229583e-10 2.20160268781915e-10 2.23246491500221e-10 2.22223021526666e-10 2.17231265584531e-10 2.14355718545194e-10 2.21602620266266e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -4.684625902483722 -6.485112211329956 -5.703877032650659 -2.681507062491123 -3.785817368340558 -3.0262253961942323 -6.20088302045612 -3.7459349656214926 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -4.684625902483722 -6.485112211329956 -5.703877032650659 -2.681507062491123 -3.785817368340558 -3.026225396194232 -6.20088302045612 -3.745934965621493 ] } "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 ] } }