{ "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 0.499538 0.801164 ] [ 0.25 0.500462 0.198836 ] [ 0.25 0.000462 0.301164 ] [ 0.75 0.999538 0.698836 ] [ 0.75 0.316928 0.415753 ] [ 0.75 0.816928 0.084247 ] [ 0.25 0.683072 0.584247 ] [ 0.25 0.183072 0.915753 ] [ 0.25 0.809642 0.915531 ] [ 0.25 0.309642 0.584469 ] [ 0.75 0.690358 0.415531 ] [ 0.75 0.190358 0.084469 ] [ 0.75 0.253362 0.243672 ] [ 0.507895 0.753445 0.49695 ] [ 0.992105 0.753445 0.49695 ] [ 0.992105 0.253445 0.00305 ] [ 0.75 0.753362 0.256328 ] [ 0.25 0.746638 0.756328 ] [ 0.492105 0.246555 0.50305 ] [ 0.25 0.246638 0.743672 ] [ 0.007895 0.246555 0.50305 ] [ 0.007895 0.746555 0.99695 ] [ 0.25 0.489801 0.588125 ] [ 0.507895 0.253445 0.00305 ] [ 0.492105 0.746555 0.99695 ] [ 0.75 0.510199 0.411875 ] [ 0.25 0.989801 0.911875 ] [ 0.75 0.010199 0.088125 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "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" 5.50246969 "source-unit" "angstrom" } "b" { "source-value" 9.01174292 "source-unit" "angstrom" } "c" { "source-value" 9.59451353 "source-unit" "angstrom" } }