{ "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" 3.620386689901352 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.620386689901352e-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" [ 2.53873194436205 2.29767778277776 2.29869834467528 2.28941182048708 2.32316447855165 2.30580612568899 2.29799227235915 2.39174660718935 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.53873194436205e-10 2.29767778277776e-10 2.29869834467528e-10 2.28941182048708e-10 2.32316447855165e-10 2.30580612568899e-10 2.29799227235915e-10 2.39174660718935e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.016712825549728992 0.959221914452201 0.9517345403968762 0.9409524113621842 0.8747093735343408 0.8576791520680025 0.9123931154968495 1.0408548477719823 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01671282554972899 0.959221914452201 0.9517345403968762 0.9409524113621842 0.8747093735343408 0.8576791520680025 0.9123931154968495 1.040854847771982 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "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 ] } }