{ "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" 3.658403038978577 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658403038978577e-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" [ 2.42146911772769 2.18634875541339 2.17090276358965 2.22778319811111 2.21278162175163 2.22426365215739 2.1697502567844 2.3205133286812 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.42146911772769e-10 2.18634875541339e-10 2.17090276358965e-10 2.22778319811111e-10 2.21278162175163e-10 2.22426365215739e-10 2.1697502567844e-10 2.3205133286812e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -2.4667638257751396 -4.249525161264644 -4.446848748643832 -2.133358875347504 -3.2448082805213585 -2.227051839702602 -6.357371724951087 -3.161777459524369 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -2.46676382577514 -4.249525161264644 -4.446848748643832 -2.133358875347504 -3.244808280521359 -2.227051839702602 -6.357371724951087 -3.161777459524369 ] } "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 ] } }