{ "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/m" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.057075 ] [ 0.666667 0.333333 0.557075 ] [ 0.333333 0.666667 0.442925 ] [ 0.666667 0.333333 0.942925 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.259428 0.872693 0.75 ] [ 0.386735 0.259428 0.25 ] [ 0.872693 0.613265 0.25 ] [ 0.127307 0.386735 0.75 ] [ 0.613265 0.740572 0.75 ] [ 0.740572 0.127307 0.25 ] [ 0.764379 0.020703 0.38312 ] [ 0.743676 0.764379 0.88312 ] [ 0.020703 0.256324 0.88312 ] [ 0.979297 0.743676 0.38312 ] [ 0.256324 0.235621 0.38312 ] [ 0.235621 0.979297 0.88312 ] [ 0.235621 0.979297 0.61688 ] [ 0.256324 0.235621 0.11688 ] [ 0.979297 0.743676 0.11688 ] [ 0.020703 0.256324 0.61688 ] [ 0.743676 0.764379 0.61688 ] [ 0.764379 0.020703 0.11688 ] [ 0.910735 0.397118 0.25 ] [ 0.513617 0.910735 0.75 ] [ 0.397118 0.486383 0.75 ] [ 0.602882 0.513617 0.25 ] [ 0.486383 0.089265 0.25 ] [ 0.089265 0.602882 0.75 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Zr" "Zr" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 7.03006513 "source-unit" "angstrom" } "c" { "source-value" 10.36447923 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.582971324333333 "source-unit" "eV" } }