{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/nmc" } "basis-atom-coordinates" { "source-value" [ [ 0.546148 0.75 0.546096 ] [ 0.75 0.953852 0.046096 ] [ 0.046148 0.25 0.453904 ] [ 0.75 0.546148 0.046096 ] [ 0.453852 0.25 0.453904 ] [ 0.25 0.453852 0.953904 ] [ 0.953852 0.75 0.546096 ] [ 0.25 0.046148 0.953904 ] [ 0.536169 0.036169 0.75 ] [ 0.536169 0.463831 0.75 ] [ 0.25 0.75 0.75 ] [ 0.963831 0.036169 0.75 ] [ 0.036169 0.536169 0.25 ] [ 0.963831 0.463831 0.75 ] [ 0.463831 0.536169 0.25 ] [ 0.036169 0.963831 0.25 ] [ 0.463831 0.963831 0.25 ] [ 0.75 0.25 0.25 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "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" 6.74563267 "source-unit" "angstrom" } "c" { "source-value" 4.85556725 "source-unit" "angstrom" } }