{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.264813 0.25 ] [ 0.75 0.735187 0.75 ] [ 0.5 0 0.5 ] [ 0.25 0.795145 0.25 ] [ 0 0 0 ] [ 0.75 0.204855 0.75 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0.75 0.402135 0.443213 ] [ 0.25 0.597865 0.556787 ] [ 0.25 0.597865 0.943213 ] [ 0.75 0.402135 0.056787 ] [ 0.25 0.158877 0.75 ] [ 0.75 0.841123 0.25 ] [ 0.75 0.420775 0.879497 ] [ 0.039812 0.744283 0.584987 ] [ 0.460188 0.744283 0.584987 ] [ 0.539812 0.255717 0.415013 ] [ 0.960188 0.255717 0.084987 ] [ 0.75 0.420775 0.620503 ] [ 0.039812 0.744283 0.915013 ] [ 0.75 0.008809 0.610043 ] [ 0.75 0.008809 0.889957 ] [ 0.960188 0.255717 0.415013 ] [ 0.25 0.579225 0.379497 ] [ 0.539812 0.255717 0.084987 ] [ 0.460188 0.744283 0.915013 ] [ 0.25 0.579225 0.120503 ] [ 0.25 0.991191 0.389957 ] [ 0.25 0.991191 0.110043 ] ] } "species" { "source-value" [ "Nd" "Nd" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Cl" "Cl" "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" 6.44579155 "source-unit" "angstrom" } "b" { "source-value" 7.16743832 "source-unit" "angstrom" } "c" { "source-value" 9.73768684 "source-unit" "angstrom" } }