{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 7.1451 6.666352 6.369643 6.154068 5.984652 5.845073 5.726378 5.623123 5.53175 5.449805 5.375522 5.30759 5.245009 5.186996 5.13293 5.082308 5.034717 4.989815 4.947314 4.90697 4.868575 4.831949 4.796936 4.7634 4.729497 4.69456 4.658523 4.621316 4.582859 4.543066 4.50184 4.459075 4.414652 4.368435 4.320275 4.27 4.217417 4.162304 4.104403 4.04342 3.979005 3.910751 3.83817 3.760677 3.677558 3.587931 3.490691 3.384423 3.267277 3.136771 2.989458 2.820362 2.621905 2.3817 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.1451e-10 6.666352e-10 6.369643000000001e-10 6.154068e-10 5.984652e-10 5.845073e-10 5.726378e-10 5.623123e-10 5.53175e-10 5.449805e-10 5.375522e-10 5.30759e-10 5.245009e-10 5.186996e-10 5.13293e-10 5.082308000000001e-10 5.034716999999999e-10 4.989815e-10 4.947314e-10 4.90697e-10 4.868575e-10 4.831949e-10 4.796935999999999e-10 4.7634e-10 4.729497e-10 4.69456e-10 4.658523e-10 4.6213160000000003e-10 4.582859e-10 4.5430659999999996e-10 4.5018399999999997e-10 4.4590750000000004e-10 4.4146520000000005e-10 4.368435e-10 4.320275e-10 4.2699999999999997e-10 4.2174170000000006e-10 4.162304e-10 4.1044029999999997e-10 4.0434200000000004e-10 3.979005e-10 3.910751e-10 3.83817e-10 3.760677e-10 3.677558e-10 3.587931e-10 3.490691e-10 3.3844230000000003e-10 3.267277e-10 3.136771e-10 2.989458e-10 2.8203619999999997e-10 2.621905e-10 2.3817e-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" [ 1.47137 1.79808 1.88881 1.93934 1.99555 2.05 2.066 2.06397 2.0585 2.05446 2.05277 2.05329 2.04981 2.03391 2.01837 2.01517 2.02822 2.05509 2.08856 2.12225 2.15253 2.17781 2.19737 2.20828 2.19391 2.15766 2.11826 2.08601 2.05843 2.03143 1.99823 1.94832 1.8742 1.77414 1.64802 1.49564 1.3155 1.10409 0.861659 0.592559 0.261844 -0.173693 -0.729282 -1.43468 -2.39561 -3.73281 -5.54706 -7.99571 -11.4188 -16.6337 -24.535 -36.9822 -58.0179 -97.8998 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.35739463396858e-19 2.88084176206272e-19 3.02620724806554e-19 3.10716523338156e-19 3.1972235819787e-19 3.2844620996999993e-19 3.3100969258439997e-19 3.3068445072769794e-19 3.298080601089e-19 3.29160780748764e-19 3.28890012897618e-19 3.28973326082586e-19 3.2841576861395396e-19 3.25868307765894e-19 3.2337852527665796e-19 3.2286582875377797e-19 3.24956669261148e-19 3.2926171787670595e-19 3.3462420307070403e-19 3.4002193615065e-19 3.44873326998402e-19 3.48923629529154e-19 3.5205748702525796e-19 3.5380546173295193e-19 3.5150313390989396e-19 3.45695243611644e-19 3.3938266767368394e-19 3.3421564802903397e-19 3.29796844872462e-19 3.2547096796066194e-19 3.2015174153578196e-19 3.12155277955488e-19 3.0027994474428e-19 2.8424856534447597e-19 2.64041913636468e-19 2.39627946087576e-19 2.1076633620269997e-19 1.76894719983306e-19 1.3805299162758058e-19 9.493841840664058e-20 4.19520338553096e-20 -2.7828686608936194e-20 -1.1684385799967878e-19 -2.29861077326712e-19 -3.8381903661767396e-19 -5.98062096116154e-19 -8.88736991939604e-19 -1.281053973424014e-18 -1.82949345483192e-18 -2.66501254769658e-18 -3.930940371519e-18 -5.925201671391479e-18 -9.295492373374859e-18 -1.568527720332732e-17 ] } }