{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.704303 0.852152 0.71482 ] [ 0.852152 0.147848 0.21482 ] [ 0.532785 0.467215 0.891957 ] [ 0.467215 0.93443 0.391957 ] [ 0.06557 0.532785 0.391957 ] [ 0.93443 0.467215 0.891957 ] [ 0.532785 0.06557 0.891957 ] [ 0.467215 0.532785 0.391957 ] [ 0.147848 0.852152 0.71482 ] [ 0.147848 0.295697 0.71482 ] [ 0.295697 0.147848 0.21482 ] [ 0.852152 0.704303 0.21482 ] [ 0.388644 0.194322 0.606264 ] [ 0.805678 0.611356 0.606264 ] [ 0.333333 0.666667 0.681801 ] [ 0.666667 0.333333 0.181801 ] [ 0.805678 0.194322 0.606264 ] [ 0.194322 0.805678 0.106264 ] [ 0.611356 0.805678 0.106264 ] [ 0.194322 0.388644 0.106264 ] [ 0.666667 0.333333 0.504177 ] [ 0.333333 0.666667 0.004177 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "P" "P" "P" "P" "P" "P" "P" "P" "W" "W" ] } "a" { "source-value" 9.17094964 "source-unit" "angstrom" } "c" { "source-value" 7.19247386 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.275529968636364 "source-unit" "eV" } }