{ "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" } "basis-atom-coordinates" { "source-value" [ [ 0.333631 0.024686 0.897159 ] [ 0.332944 0.023435 0.566007 ] [ 0.666667 0.333333 0.216497 ] [ 0.666667 0.333333 0.733525 ] [ 0 0 0.467076 ] [ 0 0 0.967076 ] [ 0.976565 0.30951 0.566007 ] [ 0.975314 0.308944 0.897159 ] [ 0.691056 0.666369 0.897159 ] [ 0.69049 0.667056 0.566007 ] [ 0.30951 0.332944 0.066007 ] [ 0.308944 0.333631 0.397159 ] [ 0.024686 0.691056 0.397159 ] [ 0.023435 0.69049 0.066007 ] [ 0.333333 0.666667 0.233525 ] [ 0.333333 0.666667 0.716497 ] [ 0.667056 0.976565 0.066007 ] [ 0.666369 0.975314 0.397159 ] [ 0 0 0.231358 ] [ 0 0 0.731358 ] [ 0.666667 0.333333 0.509825 ] [ 0.666667 0.333333 0.95547 ] [ 0.333333 0.666667 0.45547 ] [ 0.333333 0.666667 0.009825 ] [ 0.352493 0.026873 0.345835 ] [ 0.34979 0.02338 0.119749 ] [ 0.97662 0.32641 0.119749 ] [ 0.973127 0.32562 0.345835 ] [ 0.67359 0.65021 0.119749 ] [ 0.67438 0.647507 0.345835 ] [ 0.32562 0.352493 0.845835 ] [ 0.32641 0.34979 0.619749 ] [ 0.026873 0.67438 0.845835 ] [ 0.02338 0.67359 0.619749 ] [ 0.65021 0.97662 0.619749 ] [ 0.647507 0.973127 0.845835 ] [ 0.201353 0.133269 0.842703 ] [ 0.204475 0.130958 0.625321 ] [ 0.435343 0.127337 0.232393 ] [ 0.431265 0.187833 0.035336 ] [ 0.431164 0.189436 0.430891 ] [ 0.581067 0.120666 0.605023 ] [ 0.581894 0.120394 0.860414 ] [ 0.866731 0.068084 0.842703 ] [ 0.5385 0.418106 0.860414 ] [ 0.869042 0.073517 0.625321 ] [ 0.5396 0.418933 0.605023 ] [ 0.812167 0.243431 0.035336 ] [ 0.810564 0.241729 0.430891 ] [ 0.872663 0.308007 0.232393 ] [ 0.068084 0.201353 0.342703 ] [ 0.691993 0.564657 0.232393 ] [ 0.073517 0.204475 0.125321 ] [ 0.758271 0.568836 0.430891 ] [ 0.756569 0.568735 0.035336 ] [ 0.879334 0.4604 0.605023 ] [ 0.879606 0.4615 0.860414 ] [ 0.120394 0.5385 0.360414 ] [ 0.120666 0.5396 0.105023 ] [ 0.243431 0.431265 0.535336 ] [ 0.241729 0.431164 0.930891 ] [ 0.926483 0.795525 0.625321 ] [ 0.308007 0.435343 0.732393 ] [ 0.931916 0.798647 0.842703 ] [ 0.127337 0.691993 0.732393 ] [ 0.189436 0.758271 0.930891 ] [ 0.187833 0.756569 0.535336 ] [ 0.4604 0.581067 0.105023 ] [ 0.130958 0.926483 0.125321 ] [ 0.4615 0.581894 0.360414 ] [ 0.133269 0.931916 0.342703 ] [ 0.418106 0.879606 0.360414 ] [ 0.418933 0.879334 0.105023 ] [ 0.568836 0.810564 0.930891 ] [ 0.568735 0.812167 0.535336 ] [ 0.564657 0.872663 0.732393 ] [ 0.795525 0.869042 0.125321 ] [ 0.798647 0.866731 0.342703 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 8.58306841 "source-unit" "angstrom" } "c" { "source-value" 12.98229837 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.935869932051282 "source-unit" "eV" } }