{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cccm" } "basis-atom-coordinates" { "source-value" [ [ 0.000978 0.759234 0 ] [ 0.999022 0.759234 0.5 ] [ 0.000978 0.240766 0.5 ] [ 0.999022 0.240766 0 ] [ 0.500978 0.259234 0 ] [ 0.499022 0.259234 0.5 ] [ 0.500978 0.740766 0.5 ] [ 0.499022 0.740766 0 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.25 0.75 0.831982 ] [ 0.734198 0.083543 0.5 ] [ 0.25 0.25 0.668018 ] [ 0.734198 0.916457 0 ] [ 0.265802 0.083543 0 ] [ 0.25 0.25 0.331982 ] [ 0.265802 0.916457 0.5 ] [ 0.25 0.75 0.168018 ] [ 0.75 0.25 0.831982 ] [ 0.234198 0.583543 0.5 ] [ 0.75 0.75 0.668018 ] [ 0.234198 0.416457 0 ] [ 0.765802 0.583543 0 ] [ 0.75 0.75 0.331982 ] [ 0.765802 0.416457 0.5 ] [ 0.75 0.25 0.168018 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Pb" "Pb" "Pb" "Pb" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.28329014 "source-unit" "angstrom" } "b" { "source-value" 11.05720499 "source-unit" "angstrom" } "c" { "source-value" 11.02024533 "source-unit" "angstrom" } }