{ "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" [ [ 0.800928 0.5 0.400859 ] [ 0.199072 0.5 0.599141 ] [ 0.300928 0 0.400859 ] [ 0.699072 0 0.599141 ] [ 0.100004 0 0.800069 ] [ 0 0.5 0 ] [ 0.399996 0.5 0.199931 ] [ 0.600004 0.5 0.800069 ] [ 0.5 0 0 ] [ 0.899996 0 0.199931 ] [ 0.908373 0.751482 0.712836 ] [ 0.908373 0.248518 0.712836 ] [ 0.199592 0.253854 0.094466 ] [ 0.199592 0.746146 0.094466 ] [ 0.591627 0.251482 0.287164 ] [ 0 0.24118 0.5 ] [ 0.591627 0.748518 0.287164 ] [ 0 0.75882 0.5 ] [ 0.300408 0.753854 0.905534 ] [ 0.300408 0.246146 0.905534 ] [ 0.408373 0.251482 0.712836 ] [ 0.408373 0.748518 0.712836 ] [ 0.699592 0.753854 0.094466 ] [ 0.699592 0.246146 0.094466 ] [ 0.091627 0.751482 0.287164 ] [ 0.5 0.74118 0.5 ] [ 0.091627 0.248518 0.287164 ] [ 0.5 0.25882 0.5 ] [ 0.800408 0.253854 0.905534 ] [ 0.800408 0.746146 0.905534 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "U" "U" "U" "U" "U" "U" "O" "O" "O" "O" "O" "O" "O" "O" "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" 12.1762232 "source-unit" "angstrom" } "b" { "source-value" 5.44595664 "source-unit" "angstrom" } "c" { "source-value" 8.58521439 "source-unit" "angstrom" } "beta" { "source-value" 134.86529367 "source-unit" "degree" } }