{ "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 0.336625 0.580955 ] [ 0.25 0.663375 0.419045 ] [ 0.75 0.836625 0.919045 ] [ 0.25 0.163375 0.080955 ] [ 0.75 0.50662 0.204897 ] [ 0.25 0.49338 0.795103 ] [ 0.75 0.00662 0.295103 ] [ 0.25 0.99338 0.704897 ] [ 0.75 0.779093 0.578597 ] [ 0.25 0.220907 0.421403 ] [ 0.75 0.279093 0.921403 ] [ 0.25 0.720907 0.078597 ] [ 0.75 0.695008 0.430169 ] [ 0.25 0.304992 0.569831 ] [ 0.75 0.195008 0.069831 ] [ 0.25 0.804992 0.930169 ] [ 0.75 0.495842 0.92407 ] [ 0.25 0.504158 0.07593 ] [ 0.75 0.995842 0.57593 ] [ 0.25 0.004158 0.42407 ] [ 0.520441 0.702533 0.652641 ] [ 0.020441 0.297467 0.347359 ] [ 0.979559 0.202533 0.847359 ] [ 0.479559 0.797467 0.152641 ] [ 0.479559 0.297467 0.347359 ] [ 0.979559 0.702533 0.652641 ] [ 0.020441 0.797467 0.152641 ] [ 0.520441 0.202533 0.847359 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Ru" "Ru" "Ru" "Ru" "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" 6.38885829 "source-unit" "angstrom" } "b" { "source-value" 8.24128535 "source-unit" "angstrom" } "c" { "source-value" 11.25637323 "source-unit" "angstrom" } }