{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.292845 0 0 ] [ 0.707155 0 0 ] [ 0 0 0.292845 ] [ 0 0 0.707155 ] [ 0 0.707155 0 ] [ 0 0.292845 0 ] [ 0.792845 0.5 0.5 ] [ 0.207155 0.5 0.5 ] [ 0.5 0.5 0.792845 ] [ 0.5 0.5 0.207155 ] [ 0.5 0.207155 0.5 ] [ 0.5 0.792845 0.5 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.665274 0.334726 0 ] [ 0.5 0.834726 0.834726 ] [ 0.834726 0.5 0.834726 ] [ 0.334726 0 0.665274 ] [ 0.665274 0 0.334726 ] [ 0.834726 0.834726 0.5 ] [ 0.5 0.165274 0.165274 ] [ 0.165274 0.165274 0.5 ] [ 0.165274 0.5 0.165274 ] [ 0 0.334726 0.665274 ] [ 0.334726 0.665274 0 ] [ 0 0.665274 0.334726 ] [ 0.165274 0.834726 0.5 ] [ 0 0.334726 0.334726 ] [ 0.334726 0 0.334726 ] [ 0.834726 0.5 0.165274 ] [ 0.165274 0.5 0.834726 ] [ 0.334726 0.334726 0 ] [ 0 0.665274 0.665274 ] [ 0.665274 0.665274 0 ] [ 0.665274 0 0.665274 ] [ 0.5 0.834726 0.165274 ] [ 0.834726 0.165274 0.5 ] [ 0.5 0.165274 0.834726 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "bcc" ] } "a" { "source-value" 8.88308692243 "source-unit" "angstrom" } }