{ "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 0.676295 0.42265 ] [ 0.75 0.323705 0.57735 ] [ 0.25 0.176295 0.07735 ] [ 0.75 0.823705 0.92265 ] [ 0.25 0.507078 0.781971 ] [ 0.75 0.492922 0.218029 ] [ 0.25 0.007078 0.718029 ] [ 0.75 0.992922 0.281971 ] [ 0.25 0.742096 0.086161 ] [ 0.75 0.257904 0.913839 ] [ 0.25 0.242096 0.413839 ] [ 0.75 0.757904 0.586161 ] [ 0.75 0.188409 0.046552 ] [ 0.25 0.811591 0.953448 ] [ 0.25 0.311591 0.546552 ] [ 0.75 0.688409 0.453448 ] [ 0.956449 0.2301 0.8408 ] [ 0.456449 0.7699 0.1592 ] [ 0.543551 0.7301 0.6592 ] [ 0.043551 0.2699 0.3408 ] [ 0.043551 0.7699 0.1592 ] [ 0.543551 0.2301 0.8408 ] [ 0.456449 0.2699 0.3408 ] [ 0.956449 0.7301 0.6592 ] [ 0.75 0.963855 0.562985 ] [ 0.25 0.036145 0.437015 ] [ 0.25 0.536145 0.062985 ] [ 0.75 0.463855 0.937015 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.23589342 "source-unit" "angstrom" } "b" { "source-value" 8.06642477 "source-unit" "angstrom" } "c" { "source-value" 10.69361021 "source-unit" "angstrom" } }