{ "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" [ [ 0.25 0.65542 0.582091 ] [ 0.75 0.34458 0.417909 ] [ 0.75 0.84458 0.082091 ] [ 0.25 0.15542 0.917909 ] [ 0.75 0.002183 0.691822 ] [ 0.25 0.997817 0.308178 ] [ 0.75 0.502183 0.808178 ] [ 0.25 0.497817 0.191822 ] [ 0.75 0.771493 0.415151 ] [ 0.25 0.228507 0.584849 ] [ 0.75 0.271493 0.084849 ] [ 0.25 0.728507 0.915151 ] [ 0.512042 0.708669 0.336686 ] [ 0.012042 0.291331 0.663314 ] [ 0.987958 0.208669 0.163314 ] [ 0.487958 0.791331 0.836686 ] [ 0.487958 0.291331 0.663314 ] [ 0.987958 0.708669 0.336686 ] [ 0.012042 0.791331 0.836686 ] [ 0.512042 0.208669 0.163314 ] [ 0.25 0.514922 0.92341 ] [ 0.75 0.485078 0.07659 ] [ 0.25 0.014922 0.57659 ] [ 0.75 0.985078 0.42341 ] [ 0.75 0.194939 0.931077 ] [ 0.25 0.805061 0.068923 ] [ 0.25 0.305061 0.431077 ] [ 0.75 0.694939 0.568923 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Ba" "Ba" "Ba" "Ba" "Mn" "Mn" "Mn" "Mn" "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" 5.98627091 "source-unit" "angstrom" } "b" { "source-value" 8.01923312 "source-unit" "angstrom" } "c" { "source-value" 10.50710663 "source-unit" "angstrom" } }