{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.614561 0 ] [ 0.75 0.60571 0.5 ] [ 0.25 0.874759 0.5 ] [ 0.75 0.125241 0.5 ] [ 0.75 0.385439 0 ] [ 0.25 0.39429 0.5 ] [ 0.25 0.130616 0 ] [ 0.75 0.869384 0 ] [ 0.042829 0.332082 0.771946 ] [ 0.457171 0.332082 0.228054 ] [ 0.957171 0.667918 0.228054 ] [ 0.542829 0.667918 0.771946 ] [ 0.500111 0.096497 0.804348 ] [ 0.999889 0.096497 0.195652 ] [ 0.000111 0.903503 0.804348 ] [ 0.499889 0.903503 0.195652 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Sb" "Sb" "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" 5.51568625 "source-unit" "angstrom" } "b" { "source-value" 6.67728984 "source-unit" "angstrom" } "c" { "source-value" 5.87887512 "source-unit" "angstrom" } "beta" { "source-value" 109.56722376 "source-unit" "degree" } }