{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.916707 ] [ 0.333333 0.666667 0.416707 ] [ 0.666667 0.333333 0.583293 ] [ 0.333333 0.666667 0.083293 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.333333 0.666667 0.845508 ] [ 0.666667 0.333333 0.345508 ] [ 0.666667 0.333333 0.154492 ] [ 0.333333 0.666667 0.654492 ] [ 0.640445 0.820222 0.591637 ] [ 0.640445 0.820222 0.908363 ] [ 0.179778 0.359555 0.591637 ] [ 0.179778 0.820222 0.908363 ] [ 0.820222 0.179778 0.408363 ] [ 0.820222 0.640445 0.408363 ] [ 0.520709 0.041418 0.25 ] [ 0.479291 0.520709 0.75 ] [ 0.041418 0.520709 0.75 ] [ 0.958582 0.479291 0.25 ] [ 0.179778 0.359555 0.908363 ] [ 0.479291 0.958582 0.75 ] [ 0.820222 0.640445 0.091637 ] [ 0.179778 0.820222 0.591637 ] [ 0.520709 0.479291 0.25 ] [ 0.359555 0.179778 0.091637 ] [ 0.820222 0.179778 0.091637 ] [ 0.359555 0.179778 0.408363 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Fe" "Fe" "Fe" "Fe" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 7.4831975065 "source-unit" "angstrom" } "c" { "source-value" 18.15905992 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.9307164985714285 "source-unit" "eV" } }