{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccme" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.861166 0.018371 ] [ 0.5 0.138834 0.981629 ] [ 0 0.138834 0.518371 ] [ 0 0.861166 0.481629 ] [ 0 0.361166 0.018371 ] [ 0 0.638834 0.981629 ] [ 0.5 0.638834 0.518371 ] [ 0.5 0.361166 0.481629 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.25 0.017034 0.25 ] [ 0.25 0.982966 0.75 ] [ 0.75 0.982966 0.75 ] [ 0.75 0.017034 0.25 ] [ 0 0.186819 0.925717 ] [ 0 0.813181 0.074283 ] [ 0.5 0.186819 0.574283 ] [ 0.5 0.813181 0.425717 ] [ 0.75 0.517034 0.25 ] [ 0.75 0.482966 0.75 ] [ 0.25 0.482966 0.75 ] [ 0.25 0.517034 0.25 ] [ 0.5 0.686819 0.925717 ] [ 0.5 0.313181 0.074283 ] [ 0 0.686819 0.574283 ] [ 0 0.313181 0.425717 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Cu" "Cu" "Cu" "Cu" "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" 5.24944863176 "source-unit" "angstrom" } "b" { "source-value" 12.7953288791 "source-unit" "angstrom" } "c" { "source-value" 5.59673384 "source-unit" "angstrom" } }