{ "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 0.532212 0.809125 ] [ 0.75 0.467788 0.190875 ] [ 0.25 0.032212 0.690875 ] [ 0.75 0.967788 0.309125 ] [ 0.25 0.747097 0.121271 ] [ 0.75 0.252903 0.878729 ] [ 0.25 0.247097 0.378729 ] [ 0.75 0.752903 0.621271 ] [ 0.75 0.357738 0.562385 ] [ 0.25 0.642262 0.437615 ] [ 0.75 0.857738 0.937615 ] [ 0.25 0.142262 0.062385 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "As" "As" "As" "As" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.11319431 "source-unit" "angstrom" } "b" { "source-value" 7.01989774 "source-unit" "angstrom" } "c" { "source-value" 7.94386319 "source-unit" "angstrom" } }