{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 6.24792 5.829286 5.569834 5.381328 5.233185 5.111132 5.007341 4.917051 4.837152 4.765496 4.70054 4.641138 4.586415 4.535687 4.48841 4.444144 4.402529 4.363265 4.326101 4.290822 4.257248 4.225221 4.194605 4.16528 4.145316 4.124305 4.102131 4.078657 4.053722 4.027131 3.998649 3.967985 3.934779 3.89857 3.85876 3.814552 3.764855 3.708107 3.641973 3.562721 3.463824 3.33222 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.24792e-10 5.829286e-10 5.569834e-10 5.381328e-10 5.233184999999999e-10 5.111132e-10 5.007341000000001e-10 4.917051e-10 4.837152e-10 4.765496e-10 4.700540000000001e-10 4.641138e-10 4.586415e-10 4.535687e-10 4.4884100000000003e-10 4.444144e-10 4.4025290000000005e-10 4.3632650000000005e-10 4.3261010000000005e-10 4.2908220000000006e-10 4.257248e-10 4.2252210000000005e-10 4.194605e-10 4.1652800000000004e-10 4.1453160000000006e-10 4.124305e-10 4.1021310000000003e-10 4.078657e-10 4.053722e-10 4.027131e-10 3.998649e-10 3.967985e-10 3.9347789999999997e-10 3.89857e-10 3.8587600000000003e-10 3.814552e-10 3.764855e-10 3.708107e-10 3.641973e-10 3.562721e-10 3.463824e-10 3.3322200000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.057888 0.0924006 0.258344 0.539927 0.922335 1.38201 1.89633 2.45244 2.94361 3.02244 3.12014 3.21347 3.30041 3.38025 3.45254 3.51699 3.57346 3.6219 3.66235 3.69488 3.71961 3.73668 3.74626 3.74917 3.74746 3.74183 3.73131 3.71473 3.69052 3.6567 3.6106 3.54869 3.46609 3.35601 3.2087 3.00969 2.73669 2.3536 1.79817 0.953517 -0.427632 -2.94891 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.274680022487041e-21 1.4804208106789248e-20 4.1391271692395523e-20 8.650584163386817e-20 1.4777435735455682e-19 2.214224111711808e-19 3.0382555913216643e-19 3.9292420319147525e-19 4.716183122753089e-19 4.842482705770752e-19 4.999015361622913e-19 5.148546505642176e-19 5.287839741054528e-19 5.415757522459201e-19 5.531578870376832e-19 5.634839153587392e-19 5.725314067363968e-19 5.802923502875521e-19 5.86773154718688e-19 5.919850352661504e-19 5.959472180493888e-19 5.986821335410944e-19 6.002170187438208e-19 6.006832521404736e-19 6.004092799383168e-19 5.995072545008065e-19 5.978217646957248e-19 5.951653558584384e-19 5.912864862594816e-19 5.85867924927936e-19 5.78481890706048e-19 5.6856281524667525e-19 5.553288363588672e-19 5.376920761171008e-19 5.14090412316096e-19 4.822054953855552e-19 4.384660736377152e-19 3.7708828947148803e-19 2.8809859342239363e-19 1.5277026449353536e-19 -6.851419927059456e-20 -4.724674658843329e-19 ] } }