{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 9.40643 8.776164 8.38555 8.101748 7.878714 7.69496 7.538699 7.402765 7.282474 7.174594 7.076801 6.98737 6.904982 6.828609 6.757432 6.690789 6.628136 6.569023 6.51307 6.459958 6.409411 6.361193 6.315099 6.27095 6.226317 6.180323 6.132881 6.083898 6.03327 5.980884 5.926611 5.870312 5.811828 5.750985 5.687583 5.621397 5.552173 5.479616 5.403392 5.323107 5.238307 5.148451 5.0529 4.950881 4.841456 4.723464 4.595449 4.455549 4.301328 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.40643e-10 8.776164e-10 8.385550000000001e-10 8.101748000000001e-10 7.878714e-10 7.69496e-10 7.538699000000001e-10 7.402765e-10 7.282474e-10 7.174594e-10 7.076801e-10 6.987370000000001e-10 6.904982000000001e-10 6.828609e-10 6.757432e-10 6.690789e-10 6.628136e-10 6.569023e-10 6.51307e-10 6.459958e-10 6.409411000000001e-10 6.361193000000001e-10 6.315099e-10 6.27095e-10 6.226317e-10 6.180323e-10 6.132881000000001e-10 6.083897999999999e-10 6.03327e-10 5.980884e-10 5.926611e-10 5.870312000000001e-10 5.811828e-10 5.750985e-10 5.687583e-10 5.621397e-10 5.552173e-10 5.479616e-10 5.403392000000001e-10 5.323107e-10 5.238307e-10 5.148451e-10 5.0529e-10 4.950881e-10 4.841456e-10 4.723464e-10 4.5954490000000006e-10 4.4555490000000004e-10 4.301328e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0393148 0.0589305 0.0761704 0.0919713 0.106741 0.120576 0.133627 0.145896 0.15742 0.168223 0.178329 0.187757 0.196483 0.204501 0.211837 0.218478 0.224386 0.229549 0.233954 0.237586 0.24043 0.242471 0.243728 0.244152 0.243673 0.242071 0.239051 0.234258 0.227197 0.217251 0.203625 0.185286 0.160869 0.128585 0.0859949 0.029808 -0.0444483 -0.143154 -0.275272 -0.453651 -0.697374 -1.03513 -1.51152 -2.19751 -3.21022 -4.75103 -7.18281 -11.1989 -18.2184 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.298925393038319e-21 9.441707012993698e-21 1.2203843508243359e-20 1.473542678586042e-20 1.71017936089794e-20 1.9318404982118398e-20 2.1409405707151798e-20 2.33751162194064e-20 2.5221464572427998e-20 2.69522959901382e-20 2.8571455696458595e-20 3.00819878269938e-20 3.1480047157822194e-20 3.2764672382963394e-20 3.3940029161665796e-20 3.50040346643052e-20 3.59506006196724e-20 3.67778044158066e-20 3.74835632230836e-20 3.80654737765524e-20 3.8521132811261995e-20 3.8848137062261395e-20 3.90495306651552e-20 3.91174629544368e-20 3.90407186936682e-20 3.8784049996901397e-20 3.83001926534334e-20 3.75322693927572e-20 3.64009724714898e-20 3.48074475913134e-20 3.2624321709824997e-20 2.96860899807324e-20 2.57740552934946e-20 2.0601588248289e-20 1.377790194231666e-20 4.7757681106272e-21 -7.12140276810222e-21 -2.29357993863636e-20 -4.41034366394448e-20 -7.26829032190734e-20 -1.117316327959116e-19 -1.65846109915242e-19 -2.42172202582368e-19 -3.5207991749813396e-19 -5.143339473999479e-19 -7.6119892534330195e-19 -1.1508130348461539e-18 -1.79426159065026e-18 -2.9189094788865596e-18 ] } }