{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.078613 0.081185 ] [ 0.75 0.921387 0.918815 ] [ 0.75 0.578613 0.418815 ] [ 0.25 0.421387 0.581185 ] [ 0.25 0.364046 0.285025 ] [ 0.75 0.635954 0.714975 ] [ 0.75 0.864046 0.214975 ] [ 0.25 0.135954 0.785025 ] [ 0.25 0.793118 0.562644 ] [ 0.75 0.206882 0.437356 ] [ 0.75 0.293118 0.937356 ] [ 0.25 0.706882 0.062644 ] [ 0.25 0.085964 0.364028 ] [ 0.75 0.914036 0.635972 ] [ 0.75 0.585964 0.135972 ] [ 0.25 0.414036 0.864028 ] [ 0.25 0.808635 0.808455 ] [ 0.75 0.191365 0.191545 ] [ 0.75 0.308635 0.691545 ] [ 0.25 0.691365 0.308455 ] [ 0.994783 0.386711 0.421194 ] [ 0.494783 0.613289 0.578806 ] [ 0.005217 0.886711 0.078806 ] [ 0.505217 0.113289 0.921194 ] [ 0.005217 0.613289 0.578806 ] [ 0.505217 0.386711 0.421194 ] [ 0.994783 0.113289 0.921194 ] [ 0.494783 0.886711 0.078806 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 5.9460738 "source-unit" "angstrom" } "b" { "source-value" 9.81549018 "source-unit" "angstrom" } "c" { "source-value" 12.1251035 "source-unit" "angstrom" } }