{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmb" } "basis-atom-coordinates" { "source-value" [ [ 0.950403 0 0.75 ] [ 0.049597 0.5 0.25 ] [ 0.049597 0 0.25 ] [ 0.950403 0.5 0.75 ] [ 0.563794 0.25 0.029126 ] [ 0.563794 0.75 0.470874 ] [ 0.436206 0.75 0.970874 ] [ 0.436206 0.25 0.529126 ] [ 0.393483 0.25 0.952258 ] [ 0.393483 0.75 0.547742 ] [ 0.606517 0.75 0.047742 ] [ 0.606517 0.25 0.452258 ] [ 0.461999 0.25 0.826363 ] [ 0.461999 0.75 0.673637 ] [ 0.538001 0.75 0.173637 ] [ 0.538001 0.25 0.326363 ] [ 0.153723 0.25 0.000502 ] [ 0.153723 0.75 0.499498 ] [ 0.846277 0.75 0.999498 ] [ 0.846277 0.25 0.500502 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "H" "H" "H" "H" "C" "C" "C" "C" "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" 4.92041719 "source-unit" "angstrom" } "b" { "source-value" 8.07341567 "source-unit" "angstrom" } "c" { "source-value" 9.72992108 "source-unit" "angstrom" } }