{ "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" [ [ 0.630773 0 0.511373 ] [ 0.630773 0.630773 0.011373 ] [ 0 0.369227 0.011373 ] [ 0 0.630773 0.511373 ] [ 0.369227 0.369227 0.511373 ] [ 0.369227 0 0.011373 ] [ 0.707315 0 0.177739 ] [ 0.707315 0.707315 0.677739 ] [ 0 0.292685 0.677739 ] [ 0 0.707315 0.177739 ] [ 0.292685 0.292685 0.177739 ] [ 0.292685 0 0.677739 ] [ 0 0 0.417629 ] [ 0 0 0.917629 ] [ 0.666667 0.333333 0.297972 ] [ 0.333333 0.666667 0.797972 ] [ 0.666667 0.333333 0.797972 ] [ 0.333333 0.666667 0.297972 ] [ 0 0.328069 0.344363 ] [ 0.671931 0 0.844363 ] [ 0.328069 0.328069 0.844363 ] [ 0.671931 0.671931 0.344363 ] [ 0.328069 0 0.344363 ] [ 0 0.671931 0.844363 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "As" "As" "As" "As" "As" "As" ] } "a" { "source-value" 11.0429324605 "source-unit" "angstrom" } "c" { "source-value" 11.43034814 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 2.067847383333333 "source-unit" "eV" } }