{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.76285 0 0.197947 ] [ 0.23715 0 0.802053 ] [ 0.26285 0.5 0.197947 ] [ 0.73715 0.5 0.802053 ] [ 0.884655 0.5 0.755618 ] [ 0.115345 0.5 0.244382 ] [ 0.384655 0 0.755618 ] [ 0.615345 0 0.244382 ] [ 0.866238 0 0.156066 ] [ 0.133762 0 0.843934 ] [ 0.366238 0.5 0.156066 ] [ 0.633762 0.5 0.843934 ] ] } "species" { "source-value" [ "Ni" "Ni" "C" "C" "C" "C" "S" "S" "S" "S" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.42132595 "source-unit" "angstrom" } "b" { "source-value" 3.69908085 "source-unit" "angstrom" } "c" { "source-value" 6.50748005 "source-unit" "angstrom" } "beta" { "source-value" 105.05714778 "source-unit" "degree" } }