{ "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 0 0.950026 ] [ 0 0 0.450026 ] [ 0.333333 0.666667 0.094474 ] [ 0.666667 0.333333 0.594474 ] [ 0.333333 0.666667 0.594474 ] [ 0.666667 0.333333 0.094474 ] [ 0.25048 0 0.121467 ] [ 0.25048 0.25048 0.621467 ] [ 0 0.74952 0.621467 ] [ 0 0.25048 0.121467 ] [ 0.74952 0.74952 0.121467 ] [ 0.74952 0 0.621467 ] [ 0.624196 0 0.219585 ] [ 0.624196 0.624196 0.719585 ] [ 0 0.375804 0.719585 ] [ 0 0.624196 0.219585 ] [ 0.375804 0.375804 0.219585 ] [ 0.375804 0 0.719585 ] [ 0.310139 0 0.32854 ] [ 0.310139 0.310139 0.82854 ] [ 0 0.689861 0.82854 ] [ 0 0.310139 0.32854 ] [ 0.689861 0.689861 0.32854 ] [ 0.689861 0 0.82854 ] [ 0.625161 0 0.432234 ] [ 0.625161 0.625161 0.932234 ] [ 0 0.374839 0.932234 ] [ 0 0.625161 0.432234 ] [ 0.374839 0.374839 0.432234 ] [ 0.374839 0 0.932234 ] [ 0 0 0.254558 ] [ 0 0 0.754558 ] [ 0.333333 0.666667 0.296096 ] [ 0.666667 0.333333 0.796096 ] [ 0.333333 0.666667 0.796096 ] [ 0.666667 0.333333 0.296096 ] [ 0.669404 0 0.022934 ] [ 0.669404 0.669404 0.522934 ] [ 0 0.330596 0.522934 ] [ 0 0.669404 0.022934 ] [ 0.330596 0.330596 0.022934 ] [ 0.330596 0 0.522934 ] ] } "species" { "source-value" [ "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" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "a" { "source-value" 6.81273422 "source-unit" "angstrom" } "c" { "source-value" 12.51725545 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.698578140952381 "source-unit" "eV" } }