{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.984185 0.058662 0.25 ] [ 0.484185 0.441338 0.75 ] [ 0.515815 0.558662 0.25 ] [ 0.015815 0.941338 0.75 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.688714 0.306607 0.43275 ] [ 0.188714 0.193393 0.56725 ] [ 0.811286 0.806607 0.06725 ] [ 0.311286 0.693393 0.93275 ] [ 0.311286 0.693393 0.56725 ] [ 0.811286 0.806607 0.43275 ] [ 0.188714 0.193393 0.93275 ] [ 0.688714 0.306607 0.06725 ] [ 0.128418 0.436802 0.25 ] [ 0.628418 0.063198 0.75 ] [ 0.371582 0.936802 0.25 ] [ 0.871582 0.563198 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Pb" "Pb" "Pb" "Pb" "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" 5.76038334 "source-unit" "angstrom" } "b" { "source-value" 5.98177787 "source-unit" "angstrom" } "c" { "source-value" 8.27381417 "source-unit" "angstrom" } }