{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.223491 ] [ 0 0.5 0.776509 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.806536 0.710233 ] [ 0 0.193464 0.710233 ] [ 0 0.5 0.199646 ] [ 0.5 0 0.800354 ] [ 0.693464 0.5 0.710233 ] [ 0.306536 0.5 0.710233 ] [ 0.193464 0 0.289767 ] [ 0.5 0.306536 0.289767 ] [ 0.5 0.693464 0.289767 ] [ 0.806536 0 0.289767 ] ] } "species" { "source-value" [ "Nb" "Nb" "P" "P" "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" 6.51318882 "source-unit" "angstrom" } "c" { "source-value" 4.21344152 "source-unit" "angstrom" } }