{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.372031 0.75 ] [ 0 0.127969 0.25 ] [ 0 0.872031 0.75 ] [ 0.5 0.627969 0.25 ] [ 0 0.391326 0.75 ] [ 0.5 0.108674 0.25 ] [ 0.5 0.891326 0.75 ] [ 0 0.608674 0.25 ] [ 0.247252 0.46673 0.192855 ] [ 0.752748 0.46673 0.307145 ] [ 0.252748 0.03327 0.807145 ] [ 0.747252 0.03327 0.692855 ] [ 0.843853 0.291451 0.84125 ] [ 0.156147 0.291451 0.65875 ] [ 0.656147 0.208549 0.15875 ] [ 0.343853 0.208549 0.34125 ] [ 0.747252 0.96673 0.192855 ] [ 0.252748 0.96673 0.307145 ] [ 0.752748 0.53327 0.807145 ] [ 0.247252 0.53327 0.692855 ] [ 0.343853 0.791451 0.84125 ] [ 0.656147 0.791451 0.65875 ] [ 0.156147 0.708549 0.15875 ] [ 0.843853 0.708549 0.34125 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Nb" "Nb" "Nb" "Nb" "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" 7.2978246593 "source-unit" "angstrom" } "b" { "source-value" 11.3552842036 "source-unit" "angstrom" } "c" { "source-value" 5.21643779655 "source-unit" "angstrom" } "beta" { "source-value" 131.942816328 "source-unit" "degree" } }