{ "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" 3.6122690513730054 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.612269051373005e-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" [ 2.39957612349665 2.20771119456434 2.23373344038487 2.22525843696287 2.25827084403492 2.21378786934025 2.21138745376379 2.356510157089 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.39957612349665e-10 2.20771119456434e-10 2.23373344038487e-10 2.22525843696287e-10 2.25827084403492e-10 2.21378786934025e-10 2.21138745376379e-10 2.356510157089e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.020157595439157548 -1.6356354035593639 -1.7575718885173992 -0.3869265172677434 0.67308277952845 -0.47942901406582283 -2.979139355937505 -0.5327645661261838 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02015759543915755 -1.635635403559364 -1.757571888517399 -0.3869265172677434 0.67308277952845 -0.4794290140658228 -2.979139355937505 -0.5327645661261838 ] } "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 ] } }