{ "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 0.871294 0.25 ] [ 0.5 0.628706 0.75 ] [ 0.5 0.371294 0.25 ] [ 0 0.128706 0.75 ] [ 0.5 0.892736 0.25 ] [ 0 0.607264 0.75 ] [ 0 0.392736 0.25 ] [ 0.5 0.107264 0.75 ] [ 0.751863 0.968657 0.714813 ] [ 0.248137 0.968657 0.785187 ] [ 0.748137 0.531343 0.285187 ] [ 0.251863 0.531343 0.214813 ] [ 0.836765 0.712312 0.840892 ] [ 0.163235 0.712312 0.659108 ] [ 0.663235 0.787688 0.159108 ] [ 0.336765 0.787688 0.340892 ] [ 0.251863 0.468657 0.714813 ] [ 0.748137 0.468657 0.785187 ] [ 0.248137 0.031343 0.285187 ] [ 0.751863 0.031343 0.214813 ] [ 0.336765 0.212312 0.840892 ] [ 0.663235 0.212312 0.659108 ] [ 0.163235 0.287688 0.159108 ] [ 0.836765 0.287688 0.340892 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "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" 7.03145003649 "source-unit" "angstrom" } "b" { "source-value" 10.9086337 "source-unit" "angstrom" } "c" { "source-value" 5.08773252604 "source-unit" "angstrom" } "beta" { "source-value" 131.828114942 "source-unit" "degree" } }