{ "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" 3.6110985279083248 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.611098527908325e-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" [ 2.53065505652186 2.26946237349319 2.32177667518718 2.31883824746434 2.27667427127218 2.30067065064052 2.21928539697319 2.41932173853004 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.53065505652186e-10 2.26946237349319e-10 2.32177667518718e-10 2.31883824746434e-10 2.27667427127218e-10 2.30067065064052e-10 2.21928539697319e-10 2.41932173853004e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.020127269331837568 0.5129931580501897 0.6556509168525536 0.811774807693693 0.7236966087370823 0.7146669710057759 -0.9565480643744857 0.299969474301968 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02012726933183757 0.5129931580501897 0.6556509168525536 0.811774807693693 0.7236966087370823 0.7146669710057759 -0.9565480643744857 0.299969474301968 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "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 ] } }