{ "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 0 0 ] [ 0.137107 0.5 0.287294 ] [ 0.862893 0.5 0.712706 ] [ 0.5 0.5 0 ] [ 0.637107 0 0.287294 ] [ 0.362893 0 0.712706 ] [ 0.146797 0.5 0.013368 ] [ 0.853203 0.5 0.986632 ] [ 0.793063 0.5 0.384488 ] [ 0.206937 0.5 0.615512 ] [ 0.994785 0 0.695133 ] [ 0.005215 0 0.304867 ] [ 0.646797 0 0.013368 ] [ 0.353203 0 0.986632 ] [ 0.293063 0 0.384488 ] [ 0.706937 0 0.615512 ] [ 0.494785 0.5 0.695133 ] [ 0.505215 0.5 0.304867 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 15.1965934778 "source-unit" "angstrom" } "b" { "source-value" 3.66218439 "source-unit" "angstrom" } "c" { "source-value" 9.60814127209 "source-unit" "angstrom" } "beta" { "source-value" 111.72853563 "source-unit" "degree" } }