{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.650023 0.471138 0.458271 ] [ 0.743197 0.094152 0.183752 ] [ 0.650023 0.528862 0.958271 ] [ 0.743197 0.905848 0.683752 ] [ 0.191121 0.467772 0.773767 ] [ 0.191121 0.532228 0.273767 ] [ 0.226955 0.866584 0.03627 ] [ 0.226955 0.133416 0.53627 ] [ 0.858915 0.731722 0.19224 ] [ 0.858915 0.268278 0.69224 ] [ 0.437049 0.029421 0.822875 ] [ 0.437049 0.970579 0.322875 ] [ 0.58241 0.896282 0.960411 ] [ 0.576017 0.225781 0.803324 ] [ 0.58241 0.103718 0.460411 ] [ 0.576017 0.774219 0.303324 ] [ 0.32078 0.553056 0.028591 ] [ 0.395326 0.873074 0.670056 ] [ 0.32078 0.446944 0.528591 ] [ 0.395326 0.126926 0.170056 ] [ 0.849639 0.408596 0.232375 ] [ 0.849639 0.591404 0.732375 ] [ 0.198669 0.895422 0.333968 ] [ 0.198669 0.104578 0.833968 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Zn" "Zn" "Zn" "Zn" "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" 9.13263733 "source-unit" "angstrom" } "b" { "source-value" 9.59307732 "source-unit" "angstrom" } "c" { "source-value" 11.66087569 "source-unit" "angstrom" } "beta" { "source-value" 97.85716682 "source-unit" "degree" } }