{ "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" [ [ 0.218241 0.128658 0.388019 ] [ 0.718241 0.371343 0.611981 ] [ 0.281759 0.628657 0.111981 ] [ 0.781759 0.871343 0.888019 ] [ 0.781759 0.871343 0.611981 ] [ 0.281759 0.628657 0.388019 ] [ 0.718241 0.371343 0.888019 ] [ 0.218241 0.128658 0.111981 ] [ 0.741033 0.374742 0.433521 ] [ 0.241033 0.125258 0.566479 ] [ 0.758967 0.874742 0.066479 ] [ 0.258967 0.625258 0.933521 ] [ 0.258967 0.625258 0.566479 ] [ 0.758967 0.874742 0.433521 ] [ 0.241033 0.125258 0.933521 ] [ 0.741033 0.374742 0.066479 ] [ 0.143656 0.390717 0.25 ] [ 0.643656 0.109283 0.75 ] [ 0.356344 0.890717 0.25 ] [ 0.856344 0.609283 0.75 ] [ 0.664482 0.100936 0.25 ] [ 0.164482 0.399064 0.75 ] [ 0.835518 0.600936 0.25 ] [ 0.335518 0.899064 0.75 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.10327905 "source-unit" "angstrom" } "b" { "source-value" 8.08621086 "source-unit" "angstrom" } "c" { "source-value" 16.36673274 "source-unit" "angstrom" } }