{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm2m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.000979 ] [ 0.5 0.5 0.000409 ] [ 0.5 0.5 0.500979 ] [ 0.5 0 0.500409 ] [ 0 0.250796 0.246248 ] [ 0 0.249204 0.746248 ] [ 0 0.750796 0.746248 ] [ 0 0.749204 0.246248 ] [ 0 0.208584 0.494301 ] [ 0.5 0.249948 0.722724 ] [ 0.5 0.250052 0.222724 ] [ 0 0.5 0.291018 ] [ 0 0 0.209049 ] [ 0 0.291416 0.994301 ] [ 0 0.708584 0.994301 ] [ 0.5 0.749948 0.222724 ] [ 0.5 0.750052 0.722724 ] [ 0 0 0.791018 ] [ 0 0.5 0.709049 ] [ 0 0.791416 0.494301 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Pb" "Pb" "Pb" "Pb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.76365402 "source-unit" "angstrom" } "b" { "source-value" 11.43090893 "source-unit" "angstrom" } "c" { "source-value" 11.43859402 "source-unit" "angstrom" } }