{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 8.21864 7.66796 7.326671 7.078706 6.883835 6.723284 6.586755 6.467986 6.362885 6.268627 6.183183 6.105045 6.03306 5.966331 5.904142 5.845914 5.791173 5.739524 5.690637 5.644231 5.600067 5.557938 5.517664 5.47909 5.440093 5.399907 5.358456 5.315658 5.271423 5.225652 5.178232 5.129042 5.077944 5.024783 4.969387 4.911559 4.851076 4.787682 4.721082 4.650936 4.576843 4.498334 4.414848 4.325712 4.230105 4.127012 4.015162 3.892928 3.758181 3.608067 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.218640000000001e-10 7.66796e-10 7.326671e-10 7.078706e-10 6.883835e-10 6.723284e-10 6.586755000000001e-10 6.467986e-10 6.362885e-10 6.268627000000001e-10 6.183183e-10 6.105045e-10 6.03306e-10 5.966331000000001e-10 5.904142e-10 5.845914e-10 5.791173e-10 5.739524e-10 5.690637e-10 5.644231000000001e-10 5.600067e-10 5.557938000000001e-10 5.517664e-10 5.47909e-10 5.440093000000001e-10 5.399907e-10 5.358456e-10 5.315658000000001e-10 5.271423e-10 5.225652e-10 5.178232000000001e-10 5.129042000000001e-10 5.077944e-10 5.024783000000001e-10 4.969387e-10 4.911559e-10 4.851076000000001e-10 4.787682e-10 4.721082e-10 4.650936e-10 4.5768430000000004e-10 4.498334e-10 4.4148480000000004e-10 4.3257120000000006e-10 4.230105e-10 4.127012e-10 4.015162e-10 3.892928e-10 3.758181e-10 3.6080670000000005e-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" [ 0.195197 0.405043 0.665686 0.928901 1.18146 1.40867 1.60958 1.78762 1.94108 2.06851 2.17205 2.25544 2.32231 2.3758 2.41854 2.45272 2.48047 2.50334 2.52219 2.53717 2.54839 2.55607 2.56048 2.56188 2.56042 2.55569 2.54702 2.53342 2.51351 2.4854 2.44705 2.39654 2.33217 2.25279 2.15987 2.05543 1.9405 1.81624 1.6858 1.55227 1.41755 1.28965 1.18505 1.11722 1.08239 1.07445 1.14257 1.79603 2.90687 5.61744 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.12740072426898e-20 6.489504303652619e-20 1.066546554780924e-19 1.4882634774992338e-19 1.8929076060056398e-19 2.25693815901678e-19 2.57883146655372e-19 2.86408299447108e-19 3.1099530207247197e-19 3.3141183891953396e-19 3.4800077578797e-19 3.61361326738896e-19 3.7207508189045394e-19 3.8064512470571997e-19 3.87492827639436e-19 3.9296906737444793e-19 3.97415107533798e-19 4.0107928549575597e-19 4.04099388450846e-19 4.06499449048578e-19 4.0829709123192595e-19 4.09527562886838e-19 4.1023412278243196e-19 4.1045842751119195e-19 4.10224509722628e-19 4.0946668017474592e-19 4.0807759303306793e-19 4.0589863281082795e-19 4.02708699132534e-19 3.9820498061435993e-19 3.9206063322296997e-19 3.8396803904463594e-19 3.7365482805157797e-19 3.60936749930886e-19 3.46049324647758e-19 3.2931619188226195e-19 3.1090237582769994e-19 2.9099372897361597e-19 2.7009493695971996e-19 2.48701072365918e-19 2.2711654875267e-19 2.0662470960380999e-19 1.8986594201216997e-19 1.78998377903748e-19 1.7341799668752597e-19 1.7214586844012998e-19 1.83059895670938e-19 2.8775572999630196e-19 4.65731919207558e-19 9.00013111089696e-19 ] } }