{ "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 0.739328 0.563709 ] [ 0.25 0.260672 0.436291 ] [ 0.75 0.239328 0.936291 ] [ 0.25 0.760672 0.063709 ] [ 0.75 0.852848 0.857718 ] [ 0.25 0.147152 0.142282 ] [ 0.75 0.352848 0.642282 ] [ 0.25 0.647152 0.357718 ] [ 0.75 0.181555 0.243863 ] [ 0.25 0.818445 0.756137 ] [ 0.75 0.681555 0.256137 ] [ 0.25 0.318445 0.743863 ] [ 0.75 0.435391 0.402204 ] [ 0.25 0.564609 0.597796 ] [ 0.75 0.935391 0.097796 ] [ 0.25 0.064609 0.902204 ] [ 0.75 0.099142 0.483636 ] [ 0.25 0.900858 0.516364 ] [ 0.75 0.599142 0.016364 ] [ 0.25 0.400858 0.983636 ] [ 0.994931 0.565214 0.809313 ] [ 0.494931 0.434786 0.190687 ] [ 0.505069 0.065214 0.690687 ] [ 0.005069 0.934786 0.309313 ] [ 0.005069 0.434786 0.190687 ] [ 0.505069 0.565214 0.809313 ] [ 0.494931 0.934786 0.309313 ] [ 0.994931 0.065214 0.690687 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.08856413 "source-unit" "angstrom" } "b" { "source-value" 8.10205648 "source-unit" "angstrom" } "c" { "source-value" 10.1616083 "source-unit" "angstrom" } }