{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.762242 0.988719 0.240076 ] [ 0.762242 0.511281 0.240076 ] [ 0.237758 0.488719 0.759924 ] [ 0.237758 0.011281 0.759924 ] [ 0.210942 0.25 0.348179 ] [ 0.789058 0.75 0.651821 ] [ 0.28846 0.75 0.429085 ] [ 0.71154 0.25 0.570915 ] [ 0.273085 0.25 0.07773 ] [ 0.726915 0.75 0.92227 ] [ 0.698039 0.75 0.059018 ] [ 0.048477 0.25 0.14099 ] [ 0.464677 0.25 0.176612 ] [ 0.213639 0.95317 0.328058 ] [ 0.213639 0.54683 0.328058 ] [ 0.864479 0.25 0.414052 ] [ 0.603306 0.75 0.466775 ] [ 0.396694 0.25 0.533225 ] [ 0.135521 0.75 0.585948 ] [ 0.786361 0.45317 0.671942 ] [ 0.786361 0.04683 0.671942 ] [ 0.535323 0.75 0.823388 ] [ 0.951523 0.75 0.85901 ] [ 0.301961 0.25 0.940982 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Mn" "Mn" "Si" "Si" "C" "C" "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" 5.19407839 "source-unit" "angstrom" } "b" { "source-value" 6.46459524 "source-unit" "angstrom" } "c" { "source-value" 9.02638419 "source-unit" "angstrom" } "beta" { "source-value" 91.4307009 "source-unit" "degree" } }