{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.815459 0 ] [ 0 0.184541 0 ] [ 0 0 0 ] [ 0.5 0.315459 0 ] [ 0.5 0.684541 0 ] [ 0.5 0.5 0 ] [ 0 0.90695 0 ] [ 0 0.814518 0.5 ] [ 0.5 0.790678 0 ] [ 0.5 0.209322 0 ] [ 0 0.185482 0.5 ] [ 0 0.09305 0 ] [ 0.5 0 0 ] [ 0.5 0.40695 0 ] [ 0.5 0.314518 0.5 ] [ 0 0.290678 0 ] [ 0 0.709322 0 ] [ 0.5 0.685482 0.5 ] [ 0.5 0.59305 0 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 3.90107307 "source-unit" "angstrom" } "b" { "source-value" 21.08107172 "source-unit" "angstrom" } "c" { "source-value" 3.98926084 "source-unit" "angstrom" } }