{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3_121" } "basis-atom-coordinates" { "source-value" [ [ 0.098142 0.098142 0 ] [ 0 0.901858 0.666667 ] [ 0.901858 0 0.333333 ] [ 0.600023 0.600023 0.5 ] [ 0 0.399977 0.166667 ] [ 0.399977 0 0.833333 ] [ 0.610534 0.610534 0 ] [ 0 0.389466 0.666667 ] [ 0.389466 0 0.333333 ] [ 0.860993 0.442573 0.02449 ] [ 0.557427 0.41842 0.357823 ] [ 0.58158 0.139007 0.691157 ] [ 0.957432 0 0.833333 ] [ 0 0.957432 0.166667 ] [ 0.042568 0.042568 0.5 ] [ 0.331475 0.145766 0.962008 ] [ 0.854234 0.185709 0.295342 ] [ 0.814291 0.668525 0.628675 ] [ 0.185709 0.854234 0.704658 ] [ 0.668525 0.814291 0.371325 ] [ 0.145766 0.331475 0.037992 ] [ 0.442573 0.860993 0.97551 ] [ 0.139007 0.58158 0.308843 ] [ 0.41842 0.557427 0.642177 ] ] } "species" { "source-value" [ "B" "B" "B" "P" "P" "P" "Pb" "Pb" "Pb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 7.01423094344 "source-unit" "angstrom" } "c" { "source-value" 6.9385581 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.184743846666667 "source-unit" "eV" } }