{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P321" } "basis-atom-coordinates" { "source-value" [ [ 0.327115 0.327115 0 ] [ 0.672885 0 0 ] [ 0 0.672885 0 ] [ 0.508839 0.658962 0.40122 ] [ 0.150123 0.491161 0.40122 ] [ 0.341038 0.849877 0.40122 ] [ 0.491161 0.150123 0.59878 ] [ 0.849877 0.341038 0.59878 ] [ 0.658962 0.508839 0.59878 ] [ 0.820324 0.820324 0.5 ] [ 0.179676 0 0.5 ] [ 0 0.179676 0.5 ] [ 0.666667 0.333333 0.10578 ] [ 0.333333 0.666667 0.89422 ] [ 0 0 0 ] [ 0.489866 0.750564 0.672988 ] [ 0.260698 0.510134 0.672988 ] [ 0.249436 0.739302 0.672988 ] [ 0.510134 0.260698 0.327012 ] [ 0.739302 0.249436 0.327012 ] [ 0.750564 0.489866 0.327012 ] [ 0.674646 0.785697 0.295476 ] [ 0.111051 0.325354 0.295476 ] [ 0.214303 0.888949 0.295476 ] [ 0.325354 0.111051 0.704524 ] [ 0.888949 0.214303 0.704524 ] [ 0.785697 0.674646 0.704524 ] [ 0.844814 0.939156 0.762847 ] [ 0.094342 0.155186 0.762847 ] [ 0.060844 0.905658 0.762847 ] [ 0 0.489364 0.5 ] [ 0.489364 0 0.5 ] [ 0.510636 0.510636 0.5 ] [ 0.576819 0.397525 0.876661 ] [ 0.820706 0.423181 0.876661 ] [ 0.602475 0.179294 0.876661 ] [ 0.423181 0.820706 0.123339 ] [ 0.179294 0.602475 0.123339 ] [ 0.397525 0.576819 0.123339 ] [ 0.939156 0.844814 0.237153 ] [ 0.905658 0.060844 0.237153 ] [ 0.155186 0.094342 0.237153 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "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" 11.50843475 "source-unit" "angstrom" } "c" { "source-value" 4.83775542 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.518335403809524 "source-unit" "eV" } }