{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.505702 0.75 0.061112 ] [ 0.005702 0.75 0.438888 ] [ 0.994298 0.25 0.561112 ] [ 0.494298 0.25 0.938888 ] [ 0.185529 0.25 0.229121 ] [ 0.685529 0.25 0.270879 ] [ 0.814471 0.75 0.770879 ] [ 0.314471 0.75 0.729121 ] [ 0.543699 0.75 0.436843 ] [ 0.956301 0.25 0.936843 ] [ 0.043699 0.75 0.063157 ] [ 0.456301 0.25 0.563157 ] [ 0.158607 0.75 0.954896 ] [ 0.144843 0.25 0.953263 ] [ 0.644843 0.25 0.546737 ] [ 0.355157 0.75 0.453263 ] [ 0.341393 0.25 0.454896 ] [ 0.37905 0.25 0.686865 ] [ 0.855157 0.75 0.046737 ] [ 0.87905 0.25 0.813135 ] [ 0.12095 0.75 0.186865 ] [ 0.841393 0.25 0.045104 ] [ 0.658607 0.75 0.545104 ] [ 0.62095 0.75 0.313135 ] [ 0.04709 0.943366 0.633613 ] [ 0.54709 0.556634 0.866387 ] [ 0.04709 0.556634 0.633613 ] [ 0.45291 0.443366 0.133613 ] [ 0.54709 0.943366 0.866387 ] [ 0.95291 0.443366 0.366387 ] [ 0.45291 0.056634 0.133613 ] [ 0.95291 0.056634 0.366387 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Na" "Na" "Na" "Na" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "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" 6.71526881 "source-unit" "angstrom" } "b" { "source-value" 6.82547423 "source-unit" "angstrom" } "c" { "source-value" 9.42216393 "source-unit" "angstrom" } }