{ "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" 3.567322999238968 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.567322999238968e-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" [ 2.48384303087499 2.24560451339183 2.28213094564589 2.26209656707836 2.25576664339092 2.25844075100075 2.27085477337754 2.38528806591064 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.48384303087499e-10 2.24560451339183e-10 2.28213094564589e-10 2.26209656707836e-10 2.25576664339092e-10 2.25844075100075e-10 2.27085477337754e-10 2.38528806591064e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -0.19125531567310525 0.6291926268611556 0.6431679421223855 0.66110710754736 0.543512068458807 0.5926011042731862 0.43951157353066667 0.29921262763962525 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -0.1912553156731052 0.6291926268611556 0.6431679421223855 0.66110710754736 0.543512068458807 0.5926011042731862 0.4395115735306667 0.2992126276396253 ] } "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 ] } }