{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.893741 0.75 ] [ 0.5 0.106259 0.25 ] [ 0 0.894138 0.25 ] [ 0 0.105862 0.75 ] [ 0 0.393741 0.75 ] [ 0 0.606259 0.25 ] [ 0.5 0.394138 0.25 ] [ 0.5 0.605862 0.75 ] [ 0.265912 0 0 ] [ 0.734088 0 0.5 ] [ 0.265912 0 0.5 ] [ 0.734088 0 0 ] [ 0 0.159581 0.25 ] [ 0 0.840419 0.75 ] [ 0.765912 0.5 0 ] [ 0.234088 0.5 0.5 ] [ 0.765912 0.5 0.5 ] [ 0.234088 0.5 0 ] [ 0.5 0.659581 0.25 ] [ 0.5 0.340419 0.75 ] [ 0.716224 0.200851 0.966362 ] [ 0.283776 0.799149 0.466362 ] [ 0.716224 0.799149 0.033638 ] [ 0.283776 0.200851 0.533638 ] [ 0.283776 0.799149 0.033638 ] [ 0.716224 0.200851 0.533638 ] [ 0.283776 0.200851 0.966362 ] [ 0.716224 0.799149 0.466362 ] [ 0.5 0.070063 0.75 ] [ 0.5 0.929937 0.25 ] [ 0 0.941954 0.75 ] [ 0 0.058046 0.25 ] [ 0.216224 0.700851 0.966362 ] [ 0.783776 0.299149 0.466362 ] [ 0.216224 0.299149 0.033638 ] [ 0.783776 0.700851 0.533638 ] [ 0.783776 0.299149 0.033638 ] [ 0.216224 0.700851 0.533638 ] [ 0.783776 0.700851 0.966362 ] [ 0.216224 0.299149 0.466362 ] [ 0 0.570063 0.75 ] [ 0 0.429937 0.25 ] [ 0.5 0.441954 0.75 ] [ 0.5 0.558046 0.25 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.97854519732 "source-unit" "angstrom" } "b" { "source-value" 24.8297121251 "source-unit" "angstrom" } "c" { "source-value" 5.96918146 "source-unit" "angstrom" } }