{ "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/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.976624 ] [ 0.666667 0.333333 0.523376 ] [ 0.333333 0.666667 0.476624 ] [ 0.333333 0.666667 0.023376 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.333333 0.666667 0.645313 ] [ 0.666667 0.333333 0.354687 ] [ 0.333333 0.666667 0.854687 ] [ 0.666667 0.333333 0.145313 ] [ 0 0 0.436376 ] [ 0.666667 0.333333 0.823553 ] [ 0 0 0.936376 ] [ 0 0 0.063624 ] [ 0.333333 0.666667 0.323553 ] [ 0.333333 0.666667 0.176447 ] [ 0 0 0.563624 ] [ 0.666667 0.333333 0.676447 ] [ 0.29276 0.14638 0.062722 ] [ 0.81236 0.18764 0.675163 ] [ 0.14638 0.85362 0.937278 ] [ 0.70724 0.85362 0.562722 ] [ 0.85362 0.70724 0.062722 ] [ 0.14638 0.29276 0.562722 ] [ 0.62472 0.81236 0.324837 ] [ 0.18764 0.81236 0.175163 ] [ 0.14638 0.85362 0.562722 ] [ 0.37528 0.18764 0.824837 ] [ 0.81236 0.62472 0.824837 ] [ 0.85362 0.14638 0.062722 ] [ 0.18764 0.37528 0.324837 ] [ 0.18764 0.81236 0.324837 ] [ 0.37528 0.18764 0.675163 ] [ 0.18764 0.37528 0.175163 ] [ 0.81236 0.62472 0.675163 ] [ 0.85362 0.70724 0.437278 ] [ 0.29276 0.14638 0.437278 ] [ 0.85362 0.14638 0.437278 ] [ 0.70724 0.85362 0.937278 ] [ 0.14638 0.29276 0.937278 ] [ 0.62472 0.81236 0.175163 ] [ 0.81236 0.18764 0.824837 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Ce" "Ce" "Ce" "Ce" "C" "C" "C" "C" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.12757448268 "source-unit" "angstrom" } "c" { "source-value" 22.93613283 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.312010977045454 "source-unit" "eV" } }