{ "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 6.240894 6.209262 6.175878 6.140538 6.102997 6.062964 6.020083 5.973919 5.923926 5.869412 5.809477 5.742922 5.668101 5.582666 5.4831 5.363784 5.214893 5.01676 ] "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 6.240894e-10 6.209262e-10 6.175878000000001e-10 6.140538e-10 6.102997000000001e-10 6.062964000000001e-10 6.020082999999999e-10 5.973919e-10 5.923926e-10 5.869412e-10 5.809477e-10 5.742922000000001e-10 5.668101000000001e-10 5.582666e-10 5.4831e-10 5.363784e-10 5.214893e-10 5.016759999999999e-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 0.243938 0.243219 0.241851 0.239641 0.236348 0.231617 0.224962 0.215702 0.202854 0.184954 0.15976 0.12371 0.0708002 -0.00957524 -0.137858 -0.357685 -0.77665 -1.73078 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.298925341142784e-21 9.44170693520544e-21 1.2203843407698433e-20 1.4735426664458304e-20 1.7101793468081282e-20 1.9318404822958082e-20 2.1409405530764162e-20 2.3375116026823682e-20 2.5221464364633602e-20 2.6952295768083843e-20 2.857145546106432e-20 3.008198757915456e-20 3.148004689846464e-20 3.276467211302208e-20 3.394002888204096e-20 3.500403437591424e-20 3.5950600323482885e-20 3.677780411280192e-20 3.7483562914264324e-20 3.806547346293888e-20 3.8521132493894403e-20 3.884813674219968e-20 3.904953034343424e-20 3.9117462632156166e-20 3.908317605247104e-20 3.896797955343552e-20 3.8748801791710084e-20 3.839472075851328e-20 3.7867123997283844e-20 3.710913423798336e-20 3.604288569684096e-20 3.455927014598016e-20 3.250079362357632e-20 2.963289747234432e-20 2.5596373693900803e-20 1.98205269759168e-20 1.1343442518796416e-20 -1.5341225666548994e-21 -2.2087286459024642e-20 -5.73074544610848e-20 -1.24433047254432e-19 -2.773015251748224e-19 ] } }