{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3cm" } "basis-atom-coordinates" { "source-value" [ [ 0.334703 0.334703 0.330023 ] [ 0 0.334703 0.830023 ] [ 0.334703 0 0.830023 ] [ 0.665297 0 0.330023 ] [ 0 0.665297 0.330023 ] [ 0.665297 0.665297 0.830023 ] [ 0 0 0.009221 ] [ 0 0 0.509221 ] [ 0.333333 0.666667 0.130842 ] [ 0.666667 0.333333 0.630842 ] [ 0.333333 0.666667 0.630842 ] [ 0.666667 0.333333 0.130842 ] [ 0.492163 0.667517 0.382992 ] [ 0.332483 0.824646 0.382992 ] [ 0.175354 0.507837 0.382992 ] [ 0.824646 0.492163 0.882992 ] [ 0.507837 0.332483 0.882992 ] [ 0.667517 0.175354 0.882992 ] [ 0.492163 0.824646 0.882992 ] [ 0.667517 0.492163 0.382992 ] [ 0.824646 0.332483 0.382992 ] [ 0.175354 0.667517 0.882992 ] [ 0.332483 0.507837 0.882992 ] [ 0.507837 0.175354 0.382992 ] [ 0.158465 0 0.25589 ] [ 0.158465 0.158465 0.75589 ] [ 0 0.841535 0.75589 ] [ 0 0.158465 0.25589 ] [ 0.841535 0.841535 0.25589 ] [ 0.841535 0 0.75589 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" 11.8998153896 "source-unit" "angstrom" } "c" { "source-value" 5.97640729 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.6193849666666664 "source-unit" "eV" } }