{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcm" } "basis-atom-coordinates" { "source-value" [ [ 0.690313 0.75 0.003577 ] [ 0.690313 0.25 0.496423 ] [ 0.309687 0.75 0.503577 ] [ 0.309687 0.25 0.996423 ] [ 0.844323 0 0.25 ] [ 0.844323 0.5 0.25 ] [ 0.658738 0.75 0.746952 ] [ 0.658738 0.25 0.753048 ] [ 0.341262 0.75 0.246952 ] [ 0.341262 0.25 0.253048 ] [ 0.155677 0 0.75 ] [ 0.155677 0.5 0.75 ] [ 0.996071 0.75 0.646758 ] [ 0.996071 0.25 0.853242 ] [ 0.986998 0.75 0.850703 ] [ 0.986998 0.25 0.649297 ] [ 0.508718 0.497278 0.14647 ] [ 0.508718 0.002722 0.14647 ] [ 0.508718 0.997278 0.35353 ] [ 0.508718 0.502722 0.35353 ] [ 0.491282 0.497278 0.64647 ] [ 0.491282 0.997278 0.85353 ] [ 0.491282 0.502722 0.85353 ] [ 0.491282 0.002722 0.64647 ] [ 0.013002 0.25 0.149297 ] [ 0.013002 0.75 0.350703 ] [ 0.003929 0.75 0.146758 ] [ 0.003929 0.25 0.353242 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Nb" "Nb" "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" 5.15758435 "source-unit" "angstrom" } "b" { "source-value" 5.96354663 "source-unit" "angstrom" } "c" { "source-value" 12.15542781 "source-unit" "angstrom" } }