{ "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" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" ] } "a" { "source-value" [ 9.88861 9.226037 8.815401 8.517052 8.282586 8.089412 7.925142 7.78224 7.655783 7.542373 7.439568 7.345552 7.258942 7.178654 7.103829 7.033769 6.967905 6.905762 6.846941 6.791106 6.737968 6.687279 6.638822 6.59241 6.560814 6.52756 6.492465 6.455313 6.415848 6.373762 6.328684 6.280153 6.227598 6.170289 6.107282 6.037315 5.958659 5.868844 5.764175 5.638742 5.48222 5.27393 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.88861e-10 9.226037e-10 8.815401e-10 8.517052e-10 8.282586000000001e-10 8.089412e-10 7.925142000000001e-10 7.782240000000001e-10 7.655783e-10 7.542373e-10 7.439568000000001e-10 7.345552e-10 7.258942000000001e-10 7.178654e-10 7.103829000000001e-10 7.033769e-10 6.967905e-10 6.905762e-10 6.846941e-10 6.791106e-10 6.737968000000001e-10 6.687279000000001e-10 6.638822000000001e-10 6.59241e-10 6.560814e-10 6.527560000000001e-10 6.492465e-10 6.455313e-10 6.415848000000001e-10 6.373762000000001e-10 6.328684e-10 6.280153e-10 6.227598000000001e-10 6.170289e-10 6.107282e-10 6.037315000000001e-10 5.958659e-10 5.868844e-10 5.764175e-10 5.638742e-10 5.48222e-10 5.27393e-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" [ 0.0898876 0.133292 0.168637 0.198816 0.22518 0.248511 0.269315 0.287949 0.304676 0.319698 0.333174 0.345235 0.355989 0.365526 0.373923 0.381247 0.387555 0.3929 0.397327 0.400876 0.403583 0.405481 0.4066 0.406967 0.406788 0.406194 0.405088 0.40334 0.400788 0.397214 0.39233 0.385745 0.376919 0.365084 0.349126 0.327361 0.297152 0.254145 0.190666 0.0919621 -0.0740293 -0.391306 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.440158112198221e-20 2.135573261396736e-20 2.7018625880184962e-20 3.185383470409728e-20 3.6077813147174403e-20 3.9815851421162885e-20 4.314901966307521e-20 4.613451557827392e-20 4.8814476411886085e-20 5.122126613165184e-20 5.3380359345841924e-20 5.53127445681888e-20 5.703572530619712e-20 5.856372114945409e-20 5.990906885793985e-20 6.108250301501377e-20 6.20931560274144e-20 6.294951943123201e-20 6.365880302126016e-20 6.422741550398208e-20 6.466112471523265e-20 6.496521783786049e-20 6.5144501401728e-20 6.520330128371137e-20 6.517462232219904e-20 6.507945303092352e-20 6.490225229666304e-20 6.46221918233472e-20 6.421331634971904e-20 6.364069842544512e-20 6.285819536384641e-20 6.180316205904961e-20 6.038908097353152e-20 5.849290494281472e-20 5.593615149134208e-20 5.2449014076170883e-20 4.760899872239617e-20 4.0718517729321605e-20 3.054806075814528e-20 1.473395266196717e-20 -1.1860801371418945e-20 -6.269413247787648e-20 ] } }