{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmn" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.926172 ] [ 0.5 0 0.073828 ] [ 0.5 0.5 0.48363 ] [ 0 0 0.51637 ] [ 0 0.307344 0.245719 ] [ 0.5 0.807344 0.754281 ] [ 0.5 0.192656 0.754281 ] [ 0 0.692656 0.245719 ] [ 0 0.171405 0.120043 ] [ 0.5 0.657148 0.597476 ] [ 0 0.83995 0.700516 ] [ 0.5 0.342852 0.597476 ] [ 0.5 0 0.576238 ] [ 0.5 0 0.849773 ] [ 0 0.157148 0.402524 ] [ 0 0.828595 0.120043 ] [ 0 0.842852 0.402524 ] [ 0 0.5 0.150227 ] [ 0 0.5 0.423762 ] [ 0.5 0.671405 0.879957 ] [ 0 0.16005 0.700516 ] [ 0.5 0.33995 0.299484 ] [ 0.5 0.328595 0.879957 ] [ 0.5 0.66005 0.299484 ] ] } "species" { "source-value" [ "Na" "Na" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.82816536 "source-unit" "angstrom" } "b" { "source-value" 8.93745825 "source-unit" "angstrom" } "c" { "source-value" 10.32927448 "source-unit" "angstrom" } }