{ "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 8.025 7.487295 7.154047 6.911925 6.721646 6.564878 6.431566 6.315596 6.21297 6.120933 6.037503 5.961206 5.890918 5.825761 5.765037 5.708181 5.654729 5.604297 5.556562 5.51125 5.468127 5.42699 5.387666 5.35 5.324358 5.297371 5.26889 5.23874 5.206712 5.172558 5.135975 5.096591 5.05394 5.007432 4.956299 4.899518 4.835685 4.762797 4.677854 4.57606 4.449035 4.28 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.025000000000001e-10 7.487295e-10 7.154047000000001e-10 6.911925e-10 6.721646e-10 6.564878e-10 6.431566e-10 6.315596e-10 6.212970000000001e-10 6.120933e-10 6.037503e-10 5.961206e-10 5.890918e-10 5.825761000000001e-10 5.765037000000001e-10 5.708181e-10 5.654729e-10 5.604297e-10 5.556562e-10 5.511250000000001e-10 5.468127e-10 5.42699e-10 5.387666e-10 5.35e-10 5.324358000000001e-10 5.297371e-10 5.26889e-10 5.23874e-10 5.206712e-10 5.172558e-10 5.135975e-10 5.096591e-10 5.05394e-10 5.007432e-10 4.956298999999999e-10 4.899518e-10 4.835685e-10 4.762797e-10 4.677854e-10 4.57606e-10 4.4490350000000007e-10 4.28e-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" [ 0.283546 0.371921 0.535927 0.713674 0.896168 1.07314 1.23624 1.40938 1.59131 1.76501 1.92802 2.08028 2.22125 2.35002 2.4657 2.56776 2.65607 2.73083 2.79251 2.84173 2.87918 2.90563 2.92182 2.92848 2.92692 2.92261 2.91411 2.89987 2.87816 2.84699 2.80404 2.74643 2.67047 2.57126 2.44207 2.27197 2.05428 1.77005 1.37409 0.793481 -0.125419 -1.74367 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.5429077212135686e-20 5.958831309845569e-20 8.586497098554817e-20 1.1434317976728192e-19 1.4358194179090945e-19 1.719359818845312e-19 1.9806748256977922e-19 2.258075685823104e-19 2.549559678445248e-19 2.827857757478208e-19 3.0890285684348163e-19 3.332975980717824e-19 3.558834818952e-19 3.7651471024124167e-19 3.9504868939065604e-19 4.114005039825408e-19 4.2554932572082567e-19 4.375271981379264e-19 4.474094235350209e-19 4.552953368625984e-19 4.612954883074944e-19 4.655332454695104e-19 4.681271694185856e-19 4.691942190480384e-19 4.689442794951936e-19 4.682537413716288e-19 4.6689189124394885e-19 4.646103917359296e-19 4.611320662921728e-19 4.561380817651392e-19 4.492567331788033e-19 4.400265936663744e-19 4.278564600547776e-19 4.119612657998208e-19 3.9126274603570564e-19 3.640097217158976e-19 3.291319388577024e-19 2.83593272764704e-19 2.201534872875072e-19 1.271296707249005e-19 -2.009433896041152e-20 -2.793667308390336e-19 ] } }