{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.77607 ] [ 0.666667 0.333333 0.390497 ] [ 0.333333 0.666667 0.367285 ] [ 0.666667 0.333333 0.959721 ] [ 0.175138 0.350275 0.042246 ] [ 0.175138 0.824862 0.042246 ] [ 0.649725 0.824862 0.042246 ] [ 0 0 0.789168 ] [ 0 0 0.432391 ] [ 0.324532 0.162266 0.624977 ] [ 0.837734 0.162266 0.624977 ] [ 0.837734 0.675468 0.624977 ] [ 0.52492 0.049839 0.616097 ] [ 0.52492 0.47508 0.616097 ] [ 0.522422 0.261211 0.160845 ] [ 0.476077 0.952155 0.981737 ] [ 0.950161 0.47508 0.616097 ] [ 0.738789 0.261211 0.160845 ] [ 0 0 0.127108 ] [ 0.476077 0.523923 0.981737 ] [ 0.047845 0.523923 0.981737 ] [ 0.738789 0.477578 0.160845 ] [ 0 0 0.26988 ] [ 0.065339 0.53267 0.489457 ] [ 0.46733 0.53267 0.489457 ] [ 0.46733 0.934661 0.489457 ] ] } "species" { "source-value" [ "Ba" "Ba" "Tm" "Tm" "Al" "Al" "Al" "Si" "Si" "Si" "Si" "Si" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "O" "O" "O" ] } "a" { "source-value" 6.73105667 "source-unit" "angstrom" } "c" { "source-value" 10.24425836 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.192828254615384 "source-unit" "eV" } }