{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.251829 0.325099 ] [ 0.75 0.751829 0.174901 ] [ 0.25 0.748171 0.674901 ] [ 0.25 0.248171 0.825099 ] [ 0.25 0.042909 0.118406 ] [ 0.75 0.898861 0.453001 ] [ 0.75 0.457091 0.618406 ] [ 0.75 0.398861 0.046999 ] [ 0.25 0.601139 0.953001 ] [ 0.25 0.542909 0.381594 ] [ 0.75 0.957091 0.881594 ] [ 0.25 0.101139 0.546999 ] [ 0.25 0.354371 0.540254 ] [ 0.75 0.645629 0.459746 ] [ 0.25 0.475645 0.156787 ] [ 0.75 0.524355 0.843213 ] [ 0.75 0.024355 0.656787 ] [ 0.25 0.854371 0.959746 ] [ 0.25 0.975645 0.343213 ] [ 0.75 0.145629 0.040254 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.32474909 "source-unit" "angstrom" } "b" { "source-value" 10.29351753 "source-unit" "angstrom" } "c" { "source-value" 11.0890516 "source-unit" "angstrom" } }