{ "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" [ "Au" "Au" ] } "a" { "source-value" [ 4.88358 4.556362 4.353566 4.206223 4.09043 3.995029 3.913902 3.843329 3.780877 3.724868 3.674097 3.627667 3.584893 3.545242 3.508289 3.473689 3.441162 3.410472 3.381423 3.353848 3.327605 3.302572 3.278641 3.25572 3.232548 3.208669 3.184038 3.158607 3.132323 3.105125 3.076947 3.047718 3.017355 2.985767 2.95285 2.918488 2.882548 2.844879 2.805305 2.763623 2.719597 2.672946 2.623338 2.570372 2.513561 2.452303 2.385841 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.88358e-10 4.556362e-10 4.353566e-10 4.206223e-10 4.09043e-10 3.995029e-10 3.9139020000000004e-10 3.8433290000000005e-10 3.780877e-10 3.724868e-10 3.6740970000000003e-10 3.627667e-10 3.584893e-10 3.5452420000000003e-10 3.5082890000000003e-10 3.4736889999999997e-10 3.441162e-10 3.410472e-10 3.381423e-10 3.353848e-10 3.3276050000000005e-10 3.3025720000000004e-10 3.278641e-10 3.25572e-10 3.2325480000000003e-10 3.208669e-10 3.1840380000000003e-10 3.158607e-10 3.132323e-10 3.105125e-10 3.076947e-10 3.0477180000000003e-10 3.017355e-10 2.985767e-10 2.9528500000000003e-10 2.918488e-10 2.882548e-10 2.844879e-10 2.805305e-10 2.763623e-10 2.7195969999999997e-10 2.6729460000000003e-10 2.623338e-10 2.570372e-10 2.5135610000000005e-10 2.4523030000000003e-10 2.3858410000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.62649 1.05074 1.39258 1.69052 1.95661 2.19571 2.41105 2.60551 2.78171 2.94189 3.08773 3.22031 3.34009 3.4472 3.54169 3.62372 3.69367 3.75212 3.79973 3.83723 3.86534 3.88472 3.89595 3.89958 3.89573 3.88341 3.86134 3.82808 3.78163 3.71885 3.63625 3.52942 3.39274 3.21914 2.99977 2.72352 2.37646 1.94085 1.39388 0.705691 -0.16328 -1.26654 -2.67782 -4.50128 -6.88764 -10.0611 -14.3671 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.00374763943466e-19 1.68347107640916e-19 2.23115913697572e-19 2.70851164330968e-19 3.1348348238507396e-19 3.51791525704014e-19 3.8629279734056997e-19 4.17448724165334e-19 4.45679076456414e-19 4.713427417798259e-19 4.94708885810082e-19 5.15950543623654e-19 5.35141415345706e-19 5.523023292724799e-19 5.67441296287146e-19 5.80583951215848e-19 5.91791176770678e-19 6.0115589919640795e-19 6.08783862150882e-19 6.14792024528382e-19 6.19295743046556e-19 6.22400761363248e-19 6.2420000572323e-19 6.24781595841372e-19 6.2416475783728195e-19 6.221908762241939e-19 6.18654872392956e-19 6.133260329082719e-19 6.058839224433419e-19 5.9582545753509e-19 5.825914785382499e-19 5.65475425557228e-19 5.4357687532371595e-19 5.157630889574759e-19 4.806161401374179e-19 4.36356010623168e-19 3.8075086836356394e-19 3.1095845200989e-19 2.23324196659992e-19 1.1306416310240939e-19 -2.6160340079952e-20 -2.0292207940263598e-19 -4.29034063405788e-19 -7.21184563909152e-19 -1.103521587140376e-18 -1.6119659332337398e-18 -2.30186319183414e-18 ] } }