{ "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" [ [ 0.099988 0 0.199531 ] [ 0.400012 0.5 0.800469 ] [ 0.599988 0.5 0.199531 ] [ 0.900012 0 0.800469 ] [ 0.299648 0.5 0.100264 ] [ 0.300506 0 0.600083 ] [ 0.399971 0 0.29966 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.199494 0.5 0.399917 ] [ 0.100029 0.5 0.70034 ] [ 0.200352 0 0.899736 ] [ 0.799648 0 0.100264 ] [ 0.800506 0.5 0.600083 ] [ 0.899971 0.5 0.29966 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0.699494 0 0.399917 ] [ 0.600029 0 0.70034 ] [ 0.700352 0.5 0.899736 ] [ 0.249663 0 0.25107 ] [ 0.348941 0 0.954263 ] [ 0.349645 0.5 0.445953 ] [ 0.950561 0 0.153318 ] [ 0.250337 0.5 0.74893 ] [ 0.151059 0.5 0.045737 ] [ 0.048902 0.5 0.353406 ] [ 0.951098 0.5 0.646594 ] [ 0.150355 0 0.554047 ] [ 0.049439 0 0.846682 ] [ 0.749663 0.5 0.25107 ] [ 0.848941 0.5 0.954263 ] [ 0.849645 0 0.445953 ] [ 0.450561 0.5 0.153318 ] [ 0.750337 0 0.74893 ] [ 0.651059 0 0.045737 ] [ 0.548902 0 0.353406 ] [ 0.451098 0 0.646594 ] [ 0.650355 0.5 0.554047 ] [ 0.549439 0.5 0.846682 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 24.41068341 "source-unit" "angstrom" } "b" { "source-value" 2.9811232 "source-unit" "angstrom" } "c" { "source-value" 5.15971616 "source-unit" "angstrom" } "beta" { "source-value" 94.1292129 "source-unit" "degree" } }