{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.742747 0.132791 ] [ 0.75 0.242747 0.367209 ] [ 0.75 0.257253 0.867209 ] [ 0.25 0.757253 0.632791 ] [ 0.25 0.278457 0.662906 ] [ 0.75 0.778457 0.837094 ] [ 0.75 0.721543 0.337094 ] [ 0.25 0.221543 0.162906 ] [ 0.75 0.036976 0.321076 ] [ 0.496367 0.709333 0.552222 ] [ 0.25 0.646859 0.778435 ] [ 0.75 0.146859 0.721565 ] [ 0.996367 0.290667 0.447778 ] [ 0.25 0.963024 0.678924 ] [ 0.496367 0.790667 0.052222 ] [ 0.996367 0.209333 0.947778 ] [ 0.503633 0.209333 0.947778 ] [ 0.25 0.536976 0.178924 ] [ 0.75 0.463024 0.821076 ] [ 0.003633 0.790667 0.052222 ] [ 0.25 0.853141 0.278435 ] [ 0.503633 0.290667 0.447778 ] [ 0.003633 0.709333 0.552222 ] [ 0.75 0.353141 0.221565 ] ] } "species" { "source-value" [ "Be" "Be" "Be" "Be" "Pb" "Pb" "Pb" "Pb" "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" 5.33730066 "source-unit" "angstrom" } "b" { "source-value" 7.32583605 "source-unit" "angstrom" } "c" { "source-value" 9.16898882 "source-unit" "angstrom" } }