{ "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" [ [ 0.98217 0.944234 0.25 ] [ 0.48217 0.555766 0.75 ] [ 0.51783 0.444234 0.25 ] [ 0.01783 0.055766 0.75 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.039004 0.49654 0.25 ] [ 0.539004 0.00346 0.75 ] [ 0.460996 0.99654 0.25 ] [ 0.960996 0.50346 0.75 ] [ 0.784685 0.217216 0.019743 ] [ 0.284685 0.282784 0.980257 ] [ 0.715315 0.717216 0.480257 ] [ 0.215315 0.782784 0.519743 ] [ 0.215315 0.782784 0.980257 ] [ 0.715315 0.717216 0.019743 ] [ 0.284685 0.282784 0.519743 ] [ 0.784685 0.217216 0.480257 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Dy" "Dy" "Dy" "Dy" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.42865458 "source-unit" "angstrom" } "b" { "source-value" 8.68355303 "source-unit" "angstrom" } "c" { "source-value" 12.18684581 "source-unit" "angstrom" } }