{ "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" 3.52000005543232 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.52000005543232e-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" [ 2.4694889716933 2.16178826533898 2.21828833620591 2.21534255116539 2.24043068444637 2.22099265902905 2.13293360642201 2.32205649049798 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.4694889716933e-10 2.16178826533898e-10 2.21828833620591e-10 2.21534255116539e-10 2.24043068444637e-10 2.22099265902905e-10 2.13293360642201e-10 2.32205649049798e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.022124540852591645 1.4096422460327735 1.4128573357009007 1.4497407673003262 1.3641454254181358 1.4022163516794974 1.3825445882844347 1.2750849000982811 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02212454085259164 1.409642246032774 1.412857335700901 1.449740767300326 1.364145425418136 1.402216351679497 1.382544588284435 1.275084900098281 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "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 ] } }