{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.837616 0.833018 0.931139 ] [ 0.837616 0.166982 0.931139 ] [ 0.162384 0.833018 0.431139 ] [ 0.162384 0.166982 0.431139 ] [ 0.337616 0.333018 0.931139 ] [ 0.337616 0.666982 0.931139 ] [ 0.662384 0.333018 0.431139 ] [ 0.662384 0.666982 0.431139 ] [ 0.228431 0 0.49432 ] [ 0.879061 0.781304 0.585571 ] [ 0.879061 0.218696 0.585571 ] [ 0.12094 0.781304 0.085571 ] [ 0.12094 0.218696 0.085571 ] [ 0.771569 0 0.99432 ] [ 0.728431 0.5 0.49432 ] [ 0.379061 0.281304 0.585571 ] [ 0.379061 0.718696 0.585571 ] [ 0.620939 0.281304 0.085571 ] [ 0.620939 0.718696 0.085571 ] [ 0.271569 0.5 0.99432 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "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" 5.5403282 "source-unit" "angstrom" } "b" { "source-value" 9.72873472 "source-unit" "angstrom" } "c" { "source-value" 4.96874137 "source-unit" "angstrom" } }