{ "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 0.638469 0.596215 ] [ 0.25 0.361531 0.403785 ] [ 0.75 0.138469 0.903785 ] [ 0.25 0.861531 0.096215 ] [ 0.75 0.985458 0.326222 ] [ 0.25 0.014542 0.673778 ] [ 0.75 0.485458 0.173778 ] [ 0.25 0.514542 0.826222 ] [ 0.75 0.233212 0.576913 ] [ 0.25 0.766788 0.423087 ] [ 0.75 0.733212 0.923087 ] [ 0.25 0.266788 0.076913 ] [ 0.75 0.0058 0.592163 ] [ 0.25 0.9942 0.407837 ] [ 0.75 0.5058 0.907837 ] [ 0.25 0.4942 0.092163 ] [ 0.75 0.315267 0.416939 ] [ 0.25 0.684733 0.583061 ] [ 0.75 0.815267 0.083061 ] [ 0.25 0.184733 0.916939 ] [ 0.999338 0.320102 0.653431 ] [ 0.499338 0.679898 0.346569 ] [ 0.500662 0.820102 0.846569 ] [ 0.000662 0.179898 0.153431 ] [ 0.000662 0.679898 0.346569 ] [ 0.500662 0.320102 0.653431 ] [ 0.499338 0.179898 0.153431 ] [ 0.999338 0.820102 0.846569 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "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" 7.43343169 "source-unit" "angstrom" } "b" { "source-value" 9.98696195 "source-unit" "angstrom" } "c" { "source-value" 13.39908271 "source-unit" "angstrom" } }