{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.496157 0.75 0.231713 ] [ 0.996157 0.25 0.268287 ] [ 0.003843 0.75 0.731713 ] [ 0 0 0 ] [ 0.503843 0.25 0.768287 ] [ 0 0.5 0 ] [ 0.086356 0.25 0.59065 ] [ 0.586356 0.75 0.90935 ] [ 0.913644 0.75 0.40935 ] [ 0.413644 0.25 0.09065 ] [ 0.264314 0.75 0.407658 ] [ 0.231044 0.25 0.438268 ] [ 0.761697 0.97331 0.335249 ] [ 0.731044 0.75 0.061732 ] [ 0.764314 0.25 0.092342 ] [ 0.735686 0.25 0.592342 ] [ 0.261697 0.47331 0.164751 ] [ 0.268956 0.25 0.938268 ] [ 0.738303 0.97331 0.835249 ] [ 0.238303 0.47331 0.664751 ] [ 0.238303 0.02669 0.664751 ] [ 0.261697 0.02669 0.164751 ] [ 0.761697 0.52669 0.335249 ] [ 0.235686 0.75 0.907658 ] [ 0.768956 0.75 0.561732 ] [ 0.738303 0.52669 0.835249 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Zn" "Zn" "Zn" "Zn" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.47085303 "source-unit" "angstrom" } "b" { "source-value" 8.14488852 "source-unit" "angstrom" } "c" { "source-value" 13.93000948 "source-unit" "angstrom" } }