{ "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" [ [ 0.02043 0.929509 0.75 ] [ 0.52043 0.570491 0.25 ] [ 0.47957 0.429509 0.75 ] [ 0.97957 0.070491 0.25 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.69408 0.300895 0.447996 ] [ 0.19408 0.199105 0.552004 ] [ 0.80592 0.800895 0.052004 ] [ 0.30592 0.699105 0.947996 ] [ 0.30592 0.699105 0.552004 ] [ 0.80592 0.800895 0.447996 ] [ 0.19408 0.199105 0.947996 ] [ 0.69408 0.300895 0.052004 ] [ 0.110178 0.460253 0.25 ] [ 0.610178 0.039747 0.75 ] [ 0.389822 0.960253 0.25 ] [ 0.889822 0.539747 0.75 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Pd" "Pd" "Pd" "Pd" "O" "O" "O" "O" "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" 5.64433579 "source-unit" "angstrom" } "b" { "source-value" 6.03527423 "source-unit" "angstrom" } "c" { "source-value" 7.86131216 "source-unit" "angstrom" } }