{ "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" 3.633016772568226 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.633016772568226e-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" [ 2.543900217084 2.29624353898741 2.29850510961405 2.31916369563214 2.35363086109309 2.31650829759776 2.23677971940188 2.35661686355461 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.543900217084e-10 2.29624353898741e-10 2.29850510961405e-10 2.31916369563214e-10 2.35363086109309e-10 2.31650829759776e-10 2.23677971940188e-10 2.35661686355461e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.02002054626541182 1.6410410351364488 1.6476433566762698 1.6883614527189506 1.58589001463026 1.4829567858226322 1.562732224959682 1.4686019360021487 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02002054626541182 1.641041035136449 1.64764335667627 1.688361452718951 1.58589001463026 1.482956785822632 1.562732224959682 1.468601936002149 ] } "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 ] } }