{ "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/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.924116 ] [ 0.333333 0.666667 0.424116 ] [ 0 0 0.25 ] [ 0.333333 0.666667 0.075884 ] [ 0 0 0.75 ] [ 0.666667 0.333333 0.575884 ] [ 0.333333 0.666667 0.665671 ] [ 0.666667 0.333333 0.165671 ] [ 0.333333 0.666667 0.834329 ] [ 0.666667 0.333333 0.334329 ] [ 0.486998 0.513002 0.75 ] [ 0.513002 0.486998 0.25 ] [ 0.180917 0.361834 0.905148 ] [ 0.361834 0.180917 0.405148 ] [ 0.638166 0.819083 0.905148 ] [ 0.973997 0.486998 0.25 ] [ 0.486998 0.973997 0.75 ] [ 0.026003 0.513002 0.75 ] [ 0.819083 0.180917 0.405148 ] [ 0.819083 0.638166 0.405148 ] [ 0.180917 0.361834 0.594852 ] [ 0.180917 0.819083 0.594852 ] [ 0.361834 0.180917 0.094852 ] [ 0.638166 0.819083 0.594852 ] [ 0.513002 0.026003 0.25 ] [ 0.180917 0.819083 0.905148 ] [ 0.819083 0.638166 0.094852 ] [ 0.819083 0.180917 0.094852 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Ti" "Ti" "Ti" "Ti" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 7.52509853938 "source-unit" "angstrom" } "c" { "source-value" 18.12192944 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.3327979885714285 "source-unit" "eV" } }