{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0.46915 0.25 0.430655 ] [ 0.53085 0.75 0.569345 ] [ 0.979632 0.75 0.057742 ] [ 0.020368 0.25 0.942258 ] [ 0.32015 0.435601 0.682299 ] [ 0.67985 0.564399 0.317701 ] [ 0.798845 0.57235 0.79294 ] [ 0.201155 0.42765 0.20706 ] [ 0.67985 0.935601 0.317701 ] [ 0.32015 0.064399 0.682299 ] [ 0.201155 0.07235 0.20706 ] [ 0.798845 0.92765 0.79294 ] [ 0.849549 0.25 0.538039 ] [ 0.150451 0.75 0.461961 ] [ 0.61717 0.25 0.071416 ] [ 0.38283 0.75 0.928584 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.37151214042 "source-unit" "angstrom" } "b" { "source-value" 7.85577473135 "source-unit" "angstrom" } "c" { "source-value" 5.68496402334 "source-unit" "angstrom" } "beta" { "source-value" 90.3264593919 "source-unit" "degree" } }