{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.512554 0.553801 0.749397 ] [ 0.987446 0.053801 0.750603 ] [ 0.487446 0.446199 0.250603 ] [ 0.012554 0.946199 0.249397 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.784775 0.800159 0.955831 ] [ 0.715225 0.300159 0.544169 ] [ 0.215225 0.199841 0.044169 ] [ 0.284775 0.699841 0.455831 ] [ 0.801748 0.783997 0.54651 ] [ 0.698252 0.283997 0.95349 ] [ 0.198252 0.216003 0.45349 ] [ 0.301748 0.716003 0.04651 ] [ 0.91485 0.521763 0.25773 ] [ 0.58515 0.021763 0.24227 ] [ 0.08515 0.478237 0.74227 ] [ 0.41485 0.978237 0.75773 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Mn" "Mn" "Ni" "Ni" "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" 5.4442072586 "source-unit" "angstrom" } "b" { "source-value" 5.59806804 "source-unit" "angstrom" } "c" { "source-value" 7.75018608356 "source-unit" "angstrom" } "beta" { "source-value" 90.036888071 "source-unit" "degree" } }