{ "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" [ [ 0.39542 0.114433 0.25 ] [ 0.719012 0.60458 0.25 ] [ 0.60458 0.885567 0.75 ] [ 0.280988 0.39542 0.75 ] [ 0.114433 0.719012 0.75 ] [ 0.885567 0.280988 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.628082 0.069937 0.25 ] [ 0.751833 0.855858 0.25 ] [ 0.144142 0.895975 0.25 ] [ 0.371918 0.930063 0.75 ] [ 0.930063 0.558145 0.25 ] [ 0.248167 0.144142 0.75 ] [ 0.069937 0.441855 0.75 ] [ 0.104025 0.248167 0.25 ] [ 0.855858 0.104025 0.75 ] [ 0.895975 0.751833 0.75 ] [ 0.558145 0.628082 0.75 ] [ 0.441855 0.371918 0.25 ] [ 0.800086 0.30747 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.199914 0.69253 0.25 ] [ 0.507384 0.199914 0.75 ] [ 0.30747 0.507384 0.25 ] [ 0.492616 0.800086 0.25 ] [ 0.69253 0.492616 0.75 ] [ 0.333333 0.666667 0.75 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Nb" "Nb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 12.9455160358 "source-unit" "angstrom" } "c" { "source-value" 3.9964449 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.551548277857143 "source-unit" "eV" } }