{ "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 0.127278 0.75 ] [ 0.5 0.872722 0.25 ] [ 0 0.627278 0.75 ] [ 0 0.372722 0.25 ] [ 0 0.111997 0.75 ] [ 0 0.888003 0.25 ] [ 0.5 0.611997 0.75 ] [ 0.5 0.388003 0.25 ] [ 0.844972 0.20819 0.841544 ] [ 0.155028 0.20819 0.658456 ] [ 0.155028 0.79181 0.158456 ] [ 0.844972 0.79181 0.341544 ] [ 0.752881 0.965483 0.818122 ] [ 0.247119 0.965483 0.681878 ] [ 0.247119 0.034517 0.181878 ] [ 0.752881 0.034517 0.318122 ] [ 0.344972 0.70819 0.841544 ] [ 0.655028 0.70819 0.658456 ] [ 0.655028 0.29181 0.158456 ] [ 0.344972 0.29181 0.341544 ] [ 0.252881 0.465483 0.818122 ] [ 0.747119 0.465483 0.681878 ] [ 0.747119 0.534517 0.181878 ] [ 0.252881 0.534517 0.318122 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "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" 7.42696643891 "source-unit" "angstrom" } "b" { "source-value" 11.513232458 "source-unit" "angstrom" } "c" { "source-value" 5.27976299457 "source-unit" "angstrom" } "beta" { "source-value" 132.572300875 "source-unit" "degree" } }