{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-6m2" } "basis-atom-coordinates" { "source-value" [ [ 0.380718 0.190359 0 ] [ 0.110904 0.221809 0.5 ] [ 0.550842 0.665698 0.5 ] [ 0.334302 0.449158 0.5 ] [ 0.778191 0.889096 0.5 ] [ 0.334302 0.885144 0.5 ] [ 0.114856 0.665698 0.5 ] [ 0.809641 0.619282 0 ] [ 0.593443 0.186886 0 ] [ 0.110904 0.889096 0.5 ] [ 0.809641 0.190359 0 ] [ 0.813114 0.406557 0 ] [ 0.114856 0.449158 0.5 ] [ 0.593443 0.406557 0 ] [ 0.333333 0.666667 0.5 ] [ 0.550842 0.885144 0.5 ] [ 0.623578 0.811789 0 ] [ 0.734218 0.697484 0.5 ] [ 0.410285 0.374014 0 ] [ 0.963265 0.265782 0.5 ] [ 0.044552 0.955448 0 ] [ 0.739286 0.260714 0.5 ] [ 0.739286 0.478571 0.5 ] [ 0.963729 0.374014 0 ] [ 0.517915 0.482085 0.5 ] [ 0.964979 0.797645 0 ] [ 0.517915 0.035829 0.5 ] [ 0.949086 0.050914 0.5 ] [ 0.302516 0.265782 0.5 ] [ 0.188211 0.376422 0 ] [ 0.187524 0.593762 0 ] [ 0.832666 0.035021 0 ] [ 0.949086 0.898172 0.5 ] [ 0.734218 0.036735 0.5 ] [ 0.101828 0.050914 0.5 ] [ 0.202355 0.035021 0 ] [ 0.625986 0.036271 0 ] [ 0.963265 0.697484 0.5 ] [ 0.188211 0.811789 0 ] [ 0.521429 0.260714 0.5 ] [ 0.910896 0.955448 0 ] [ 0.406238 0.593762 0 ] [ 0.202355 0.167334 0 ] [ 0.044552 0.089104 0 ] [ 0.964171 0.482085 0.5 ] [ 0.964979 0.167334 0 ] [ 0.406238 0.812476 0 ] [ 0.832666 0.797645 0 ] [ 0.963729 0.589715 0 ] [ 0.302516 0.036735 0.5 ] [ 0.410285 0.036271 0 ] [ 0.625986 0.589715 0 ] [ 0.262639 0.307699 0 ] [ 0.450295 0.334756 0.5 ] [ 0.880105 0.119895 0.5 ] [ 0.23979 0.119895 0.5 ] [ 0.47852 0.957039 0 ] [ 0.692301 0.737361 0 ] [ 0.478137 0.739068 0 ] [ 0.045059 0.307699 0 ] [ 0.042961 0.52148 0 ] [ 0.260932 0.521863 0 ] [ 0.666667 0.333333 0.5 ] [ 0.260932 0.739068 0 ] [ 0.262639 0.954941 0 ] [ 0.450295 0.115539 0.5 ] [ 0.884461 0.549705 0.5 ] [ 0.665244 0.115539 0.5 ] [ 0.045059 0.737361 0 ] [ 0.665244 0.549705 0.5 ] [ 0.884461 0.334756 0.5 ] [ 0.47852 0.52148 0 ] [ 0.880105 0.76021 0.5 ] [ 0.692301 0.954941 0 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "a" { "source-value" 18.1595436728 "source-unit" "angstrom" } "c" { "source-value" 3.87529923 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.667054401081081 "source-unit" "eV" } }