{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.480941 0.131829 ] [ 0.75 0.019059 0.631829 ] [ 0.75 0.519059 0.868171 ] [ 0.25 0.980941 0.368171 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0 0 ] [ 0.75 0.219265 0.262572 ] [ 0.75 0.719265 0.237428 ] [ 0.25 0.280735 0.762572 ] [ 0.25 0.780735 0.737428 ] [ 0.531126 0.793367 0.094846 ] [ 0.031126 0.206633 0.905154 ] [ 0.968874 0.293367 0.405154 ] [ 0.468874 0.706633 0.594846 ] [ 0.468874 0.206633 0.905154 ] [ 0.968874 0.793367 0.094846 ] [ 0.031126 0.706633 0.594846 ] [ 0.531126 0.293367 0.405154 ] [ 0.000818 0.634164 0.351406 ] [ 0.500818 0.365836 0.648594 ] [ 0.499182 0.134164 0.148594 ] [ 0.999182 0.865836 0.851406 ] [ 0.75 0.959822 0.359255 ] [ 0.25 0.040178 0.640745 ] [ 0.75 0.459822 0.140745 ] [ 0.25 0.540178 0.859255 ] [ 0.75 0.030107 0.983883 ] [ 0.25 0.969893 0.016117 ] [ 0.75 0.530107 0.516117 ] [ 0.25 0.469893 0.483883 ] [ 0.000818 0.134164 0.148594 ] [ 0.500818 0.865836 0.851406 ] [ 0.499182 0.634164 0.351406 ] [ 0.999182 0.365836 0.648594 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Al" "Al" "Al" "Al" "Pd" "Pd" "Pd" "Pd" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.23291013 "source-unit" "angstrom" } "b" { "source-value" 7.39311137 "source-unit" "angstrom" } "c" { "source-value" 10.28940506 "source-unit" "angstrom" } }