{ "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" [ [ 0.815301 0.184699 0.546195 ] [ 0.630602 0.815301 0.046195 ] [ 0.184699 0.369398 0.046195 ] [ 0.815301 0.630602 0.546195 ] [ 0.369398 0.184699 0.546195 ] [ 0.184699 0.815301 0.046195 ] [ 0.666667 0.333333 0.846374 ] [ 0.333333 0.666667 0.346374 ] [ 0.482519 0.965038 0.712895 ] [ 0.517481 0.034962 0.212895 ] [ 0.965038 0.482519 0.212895 ] [ 0.482519 0.517481 0.712895 ] [ 0.862773 0.137227 0.889757 ] [ 0.725545 0.862773 0.389757 ] [ 0.517481 0.482519 0.212895 ] [ 0.034962 0.517481 0.712895 ] [ 0.137227 0.862773 0.389757 ] [ 0.274455 0.137227 0.889757 ] [ 0.862773 0.725545 0.889757 ] [ 0.137227 0.274455 0.389757 ] [ 0.333333 0.666667 0.063384 ] [ 0.666667 0.333333 0.563384 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" ] } "a" { "source-value" 8.70726898248 "source-unit" "angstrom" } "c" { "source-value" 8.28342832 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.134183053181818 "source-unit" "eV" } }