{ "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" 3.9173715263605122 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.917371526360512e-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" [ 2.74577175832874 2.42633376410023 2.48533596264094 2.41666037088432 2.49871267016026 2.43824681388541 2.43195460549804 2.45796489925436 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.74577175832874e-10 2.42633376410023e-10 2.48533596264094e-10 2.41666037088432e-10 2.49871267016026e-10 2.43824681388541e-10 2.43195460549804e-10 2.45796489925436e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.023212891168785055 1.5724130552055455 1.49495413918606 1.655433768166432 1.4549062181489372 1.5590901547783673 1.6285549069236165 1.5507245656562794 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02321289116878505 1.572413055205546 1.49495413918606 1.655433768166432 1.454906218148937 1.559090154778367 1.628554906923616 1.550724565656279 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Pt" "Pt" "Pt" "Pt" ] } "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 ] } }