{ "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" [ [ 0.135659 0.864341 0.061597 ] [ 0.864341 0.135659 0.938403 ] [ 0.940353 0.470176 0.25 ] [ 0.135659 0.271318 0.061597 ] [ 0.470176 0.529824 0.75 ] [ 0.864341 0.728682 0.938403 ] [ 0.864341 0.728682 0.561597 ] [ 0.529824 0.470176 0.25 ] [ 0.728682 0.864341 0.061597 ] [ 0.135659 0.271318 0.438403 ] [ 0.271318 0.135659 0.938403 ] [ 0.728682 0.864341 0.438403 ] [ 0.135659 0.864341 0.438403 ] [ 0.529824 0.059647 0.25 ] [ 0.864341 0.135659 0.561597 ] [ 0.271318 0.135659 0.561597 ] [ 0.470176 0.940353 0.75 ] [ 0.059647 0.529824 0.75 ] [ 0 0 0.341551 ] [ 0.832267 0.664534 0.346608 ] [ 0.233873 0.766127 0.945402 ] [ 0.832267 0.664534 0.153392 ] [ 0.647788 0.823894 0.188078 ] [ 0.333333 0.666667 0.851585 ] [ 0.666667 0.333333 0.351585 ] [ 0.176106 0.823894 0.188078 ] [ 0 0 0.658449 ] [ 0.832267 0.167733 0.346608 ] [ 0.766127 0.233873 0.445402 ] [ 0.511518 0.488482 0.881404 ] [ 0.532255 0.766127 0.554598 ] [ 0.823894 0.176106 0.688078 ] [ 0.766127 0.532255 0.054598 ] [ 0.167733 0.335466 0.653392 ] [ 0.167733 0.335466 0.846608 ] [ 0.335466 0.167733 0.153392 ] [ 0.023037 0.511518 0.381404 ] [ 0.176106 0.352212 0.311922 ] [ 0.532255 0.766127 0.945402 ] [ 0.333333 0.666667 0.648415 ] [ 0.333333 0.666667 0.045967 ] [ 0 0 0.841551 ] [ 0.5 0 0.5 ] [ 0.901005 0.80201 0.25 ] [ 0.335466 0.167733 0.346608 ] [ 0.511518 0.023037 0.618596 ] [ 0.766127 0.532255 0.445402 ] [ 0.511518 0.488482 0.618596 ] [ 0.233873 0.766127 0.554598 ] [ 0.666667 0.333333 0.148415 ] [ 0.766127 0.233873 0.054598 ] [ 0.233873 0.467745 0.945402 ] [ 0.352212 0.176106 0.688078 ] [ 0 0 0.158449 ] [ 0 0.5 0.5 ] [ 0.80201 0.901005 0.75 ] [ 0.666667 0.333333 0.954033 ] [ 0.976963 0.488482 0.881404 ] [ 0.467745 0.233873 0.054598 ] [ 0.976963 0.488482 0.618596 ] [ 0.488482 0.976963 0.381404 ] [ 0.167733 0.832267 0.846608 ] [ 0.488482 0.511518 0.118596 ] [ 0.823894 0.176106 0.811922 ] [ 0.823894 0.647788 0.688078 ] [ 0.176106 0.352212 0.188078 ] [ 0.5 0.5 0.5 ] [ 0.664534 0.832267 0.846608 ] [ 0.488482 0.976963 0.118596 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.098995 0.901005 0.75 ] [ 0.333333 0.666667 0.454033 ] [ 0.664534 0.832267 0.653392 ] [ 0.19799 0.098995 0.25 ] [ 0.901005 0.098995 0.25 ] [ 0.023037 0.511518 0.118596 ] [ 0.823894 0.647788 0.811922 ] [ 0.167733 0.832267 0.653392 ] [ 0.832267 0.167733 0.153392 ] [ 0.647788 0.823894 0.311922 ] [ 0.5 0 0 ] [ 0.098995 0.19799 0.75 ] [ 0.511518 0.023037 0.881404 ] [ 0.176106 0.823894 0.311922 ] [ 0.666667 0.333333 0.545967 ] [ 0.467745 0.233873 0.445402 ] [ 0.488482 0.511518 0.381404 ] [ 0.352212 0.176106 0.811922 ] [ 0.233873 0.467745 0.554598 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 10.4632206645 "source-unit" "angstrom" } "c" { "source-value" 27.91652218 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 1.642899997 "source-unit" "eV" } }