{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Al" "Al" ] } "a" { "source-value" [ 4.6956 4.380977 4.185987 4.044316 3.93298 3.841251 3.763247 3.695391 3.635343 3.58149 3.532673 3.48803 3.446903 3.408778 3.373247 3.339979 3.308704 3.279195 3.251264 3.224751 3.199518 3.175449 3.152439 3.1304 3.10812 3.08516 3.061477 3.037025 3.011752 2.985601 2.958509 2.930405 2.90121 2.870838 2.839188 2.806149 2.771592 2.735373 2.697322 2.657245 2.614913 2.570058 2.52236 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.6956e-10 4.380977e-10 4.185987e-10 4.0443160000000006e-10 3.93298e-10 3.8412510000000004e-10 3.763247e-10 3.695391e-10 3.635343e-10 3.5814900000000004e-10 3.5326730000000003e-10 3.4880300000000005e-10 3.446903e-10 3.408778e-10 3.3732470000000003e-10 3.3399790000000004e-10 3.3087040000000004e-10 3.2791950000000004e-10 3.251264e-10 3.224751e-10 3.199518e-10 3.1754490000000003e-10 3.1524390000000004e-10 3.1304e-10 3.10812e-10 3.08516e-10 3.061477e-10 3.037025e-10 3.011752e-10 2.985601e-10 2.958509e-10 2.930405e-10 2.90121e-10 2.8708380000000003e-10 2.839188e-10 2.806149e-10 2.771592e-10 2.7353730000000004e-10 2.6973220000000004e-10 2.6572450000000003e-10 2.614913e-10 2.570058e-10 2.52236e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.52574 1.79837 2.02183 2.22696 2.40205 2.54767 2.66837 2.78134 2.8861 2.97512 3.04332 3.09384 3.13342 3.16554 3.19079 3.20921 3.22263 3.23322 3.24286 3.25261 3.26161 3.26897 3.27397 3.27579 3.27352 3.2658 3.25131 3.22843 3.19524 3.14983 3.09043 3.01412 2.91693 2.79407 2.63956 2.44631 2.20759 1.91689 1.56603 1.14046 0.610165 -0.0668684 -0.938084 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.44450497755916e-19 2.8813063932865797e-19 3.2393287839202197e-19 3.56798327685264e-19 3.8485083836996996e-19 4.08181734514278e-19 4.2752000648665796e-19 4.45619795920956e-19 4.6240419833874e-19 4.76666774734608e-19 4.87593619378488e-19 4.95687815733456e-19 5.02029230850828e-19 5.07175422199236e-19 5.11220918200086e-19 5.14172127559914e-19 5.16322248602742e-19 5.18018953658148e-19 5.19563451933324e-19 5.211255741514739e-19 5.225675331220739e-19 5.237467351246979e-19 5.245478234416979e-19 5.24839419589086e-19 5.244757254931679e-19 5.2323884513172e-19 5.20917291189054e-19 5.17251511050462e-19 5.11933886802216e-19 5.04658402707222e-19 4.951414735012619e-19 4.829152636072079e-19 4.673437089013619e-19 4.476593667760379e-19 4.2290413560410396e-19 3.9194207215205396e-19 3.53694911545206e-19 3.07119636794826e-19 2.50905667414302e-19 1.82721836401164e-19 9.775921058846098e-20 -1.0713498803296558e-20 -1.502976265529256e-19 ] } }