{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.010753 ] [ 0.762175 0.307732 0.329876 ] [ 0.692268 0.454443 0.329876 ] [ 0.545557 0.237825 0.329876 ] [ 0.333333 0.666667 0.184528 ] [ 0.380509 0.587587 0.504193 ] [ 0.412413 0.792922 0.504193 ] [ 0.207078 0.619491 0.504193 ] [ 0 0 0.847161 ] [ 0.121029 0.09657 0.528029 ] [ 0.90343 0.024459 0.528029 ] [ 0.975541 0.878971 0.528029 ] [ 0.696934 0.529929 0.976677 ] [ 0.470071 0.167005 0.976677 ] [ 0.832995 0.303066 0.976677 ] [ 0.623403 0.129415 0.519802 ] [ 0.870585 0.493988 0.519802 ] [ 0.506012 0.376597 0.519802 ] [ 0.423009 0.545682 0.15174 ] [ 0.454318 0.877327 0.15174 ] [ 0.122673 0.576991 0.15174 ] [ 0.547393 0.747143 0.686875 ] [ 0.252857 0.80025 0.686875 ] [ 0.19975 0.452607 0.686875 ] [ 0.194268 0.170101 0.881316 ] [ 0.829899 0.024167 0.881316 ] [ 0.975833 0.805732 0.881316 ] [ 0.040925 0.206335 0.345592 ] [ 0.793665 0.83459 0.345592 ] [ 0.16541 0.959075 0.345592 ] [ 0.666667 0.333333 0.252906 ] [ 0.333333 0.666667 0.426172 ] [ 0 0 0.603924 ] [ 0.643906 0.427711 0.914042 ] [ 0.572289 0.216195 0.914042 ] [ 0.783805 0.356094 0.914042 ] [ 0.740134 0.548393 0.153319 ] [ 0.451607 0.191741 0.153319 ] [ 0.808259 0.259866 0.153319 ] [ 0.705479 0.604137 0.873052 ] [ 0.395863 0.101342 0.873052 ] [ 0.898658 0.294521 0.873052 ] [ 0.544249 0.127223 0.414914 ] [ 0.872777 0.417026 0.414914 ] [ 0.582974 0.455751 0.414914 ] [ 0.721245 0.216576 0.508952 ] [ 0.783424 0.504669 0.508952 ] [ 0.495331 0.278755 0.508952 ] [ 0.606909 0.052742 0.624979 ] [ 0.947258 0.554168 0.624979 ] [ 0.445832 0.393091 0.624979 ] [ 0.419981 0.632454 0.088209 ] [ 0.367546 0.787527 0.088209 ] [ 0.212473 0.580019 0.088209 ] [ 0.493055 0.874436 0.325737 ] [ 0.125564 0.618619 0.325737 ] [ 0.381381 0.506945 0.325737 ] [ 0.462609 0.502933 0.050921 ] [ 0.497067 0.959676 0.050921 ] [ 0.040324 0.537391 0.050921 ] [ 0.508654 0.657308 0.582529 ] [ 0.342692 0.851345 0.582529 ] [ 0.148655 0.491346 0.582529 ] [ 0.493934 0.801172 0.68614 ] [ 0.198828 0.692762 0.68614 ] [ 0.307238 0.506066 0.68614 ] [ 0.631073 0.779892 0.783073 ] [ 0.220108 0.851181 0.783073 ] [ 0.148819 0.368927 0.783073 ] [ 0.091776 0.118599 0.943385 ] [ 0.881401 0.973177 0.943385 ] [ 0.026823 0.908224 0.943385 ] [ 0.214129 0.144995 0.706171 ] [ 0.855005 0.069134 0.706171 ] [ 0.930866 0.785871 0.706171 ] [ 0.267158 0.237796 0.984501 ] [ 0.762204 0.029362 0.984501 ] [ 0.970638 0.732842 0.984501 ] [ 0.121518 0.206806 0.442734 ] [ 0.793194 0.914713 0.442734 ] [ 0.085287 0.878482 0.442734 ] [ 0.944063 0.117877 0.351729 ] [ 0.882123 0.826187 0.351729 ] [ 0.173813 0.055937 0.351729 ] [ 0.056017 0.286342 0.251531 ] [ 0.713658 0.769675 0.251531 ] [ 0.230325 0.943983 0.251531 ] ] } "species" { "source-value" [ "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "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" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 13.9901659207 "source-unit" "angstrom" } "c" { "source-value" 6.73346065 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.398531491034483 "source-unit" "eV" } }