{ "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" 4.044650778174401 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.044650778174401e-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" [ 2.83283254905975 2.53910542126832 2.55418671638431 2.54505396643426 2.62379728035197 2.58193733028619 2.52007973231392 2.66146110285357 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.83283254905975e-10 2.53910542126832e-10 2.55418671638431e-10 2.54505396643426e-10 2.62379728035197e-10 2.58193733028619e-10 2.52007973231392e-10 2.66146110285357e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01270851936699921 0.6169302031461483 0.621353502482316 0.628953110565227 0.6217382484815092 0.6267232411807715 0.6314747813201731 0.5225059893683458 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01270851936699921 0.6169302031461483 0.621353502482316 0.628953110565227 0.6217382484815092 0.6267232411807715 0.6314747813201731 0.5225059893683458 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" ] } "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 ] } }