{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3_1" } "basis-atom-coordinates" { "source-value" [ [ 0.772221 0.426723 0.566404 ] [ 0.654503 0.227779 0.233071 ] [ 0.573277 0.345497 0.899738 ] [ 0.66843 0.738425 0.71121 ] [ 0.069996 0.33157 0.377877 ] [ 0.261575 0.930004 0.044543 ] [ 0.062699 0.331697 0.87756 ] [ 0.268998 0.937301 0.544226 ] [ 0.668303 0.731002 0.210893 ] [ 0.660228 0.376293 0.091495 ] [ 0.623707 0.283936 0.424828 ] [ 0.716064 0.339772 0.758162 ] [ 0.823305 0.924464 0.873598 ] [ 0.101159 0.176695 0.540265 ] [ 0.075536 0.898841 0.206932 ] [ 0.484325 0.997809 0.191285 ] [ 0.002191 0.486515 0.524618 ] [ 0.513485 0.515675 0.857952 ] [ 0.205922 0.731627 0.889484 ] [ 0.268373 0.474295 0.222818 ] [ 0.525705 0.794078 0.556151 ] [ 0.348786 0.149782 0.88933 ] [ 0.850218 0.199004 0.222663 ] [ 0.800996 0.651214 0.555996 ] ] } "species" { "source-value" [ "B" "B" "B" "As" "As" "As" "Pb" "Pb" "Pb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 7.26578805847 "source-unit" "angstrom" } "c" { "source-value" 7.01246809 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.61536676375 "source-unit" "eV" } }