{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imm2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.02178 0.750416 ] [ 0.5 0.02178 0.249584 ] [ 0 0.52178 0.250416 ] [ 0 0.52178 0.749584 ] [ 0.5 0.51296 0 ] [ 0 0.01296 0.5 ] [ 0.734224 0.296144 0 ] [ 0 0.036563 0.269472 ] [ 0.273212 0.758532 0 ] [ 0.726788 0.758532 0 ] [ 0 0.036563 0.730528 ] [ 0.265776 0.296144 0 ] [ 0.234224 0.796144 0.5 ] [ 0.5 0.536563 0.769472 ] [ 0.773212 0.258532 0.5 ] [ 0.226788 0.258532 0.5 ] [ 0.5 0.536563 0.230528 ] [ 0.765776 0.796144 0.5 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Nb" "Nb" "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" 6.03195233 "source-unit" "angstrom" } "b" { "source-value" 6.08901628 "source-unit" "angstrom" } "c" { "source-value" 8.57524022 "source-unit" "angstrom" } }