{ "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" } "basis-atom-coordinates" { "source-value" [ [ 0.13471 0.779662 0.963557 ] [ 0.355048 0.13471 0.463557 ] [ 0.86529 0.220338 0.463557 ] [ 0.220338 0.355048 0.963557 ] [ 0.779662 0.644952 0.463557 ] [ 0.644952 0.86529 0.963557 ] [ 0 0 0.499488 ] [ 0 0 0.999488 ] [ 0.333333 0.666667 0.384601 ] [ 0.666667 0.333333 0.884601 ] [ 0.746424 0.902506 0.486877 ] [ 0.253576 0.097494 0.986877 ] [ 0.427859 0.91384 0.215158 ] [ 0.843918 0.746424 0.986877 ] [ 0.666667 0.333333 0.281236 ] [ 0.485981 0.572141 0.215158 ] [ 0.514019 0.427859 0.715158 ] [ 0.902506 0.156082 0.986877 ] [ 0.572141 0.08616 0.715158 ] [ 0.08616 0.514019 0.215158 ] [ 0.91384 0.485981 0.715158 ] [ 0.156082 0.253576 0.486877 ] [ 0.333333 0.666667 0.781236 ] [ 0.097494 0.843918 0.486877 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "Cu" "Cu" "Sn" "Sn" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "a" { "source-value" 10.8064641732 "source-unit" "angstrom" } "c" { "source-value" 6.3617834 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.363168025833333 "source-unit" "eV" } }