{ "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" [ "F" "F" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" [ 13.7466 12.825525 12.25468 11.83993 11.513987 11.245447 11.017086 10.818432 10.642637 10.48498 10.342066 10.21137 10.090969 9.979357 9.875338 9.777945 9.686384 9.599995 9.518226 9.440607 9.366738 9.296272 9.22891 9.16439 9.120466 9.074238 9.025451 8.973805 8.918943 8.860438 8.797772 8.730307 8.657247 8.57758 8.48999 8.392726 8.283383 8.158528 8.013022 7.838653 7.621063 7.33151 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.37466e-09 1.2825525e-09 1.225468e-09 1.183993e-09 1.1513987e-09 1.1245447000000002e-09 1.1017086e-09 1.0818432e-09 1.0642637000000001e-09 1.048498e-09 1.0342066e-09 1.0211370000000001e-09 1.0090969e-09 9.979357e-10 9.875338e-10 9.777945000000002e-10 9.686384e-10 9.599995e-10 9.518226000000001e-10 9.440607e-10 9.366738e-10 9.296272000000001e-10 9.228910000000001e-10 9.16439e-10 9.120466000000001e-10 9.074237999999999e-10 9.025451e-10 8.973805000000001e-10 8.918943e-10 8.860438e-10 8.797772000000001e-10 8.730307e-10 8.657247e-10 8.577579999999999e-10 8.489990000000001e-10 8.392726e-10 8.283383000000001e-10 8.158528000000001e-10 8.013022e-10 7.838653000000001e-10 7.621063e-10 7.33151e-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" [ 0.000403875 0.0119917 0.0357087 0.065143 0.0950241 0.122632 0.146951 0.167844 0.185564 0.200496 0.213039 0.22356 0.232374 0.239744 0.245886 0.250978 0.255164 0.258561 0.261267 0.263359 0.264903 0.265954 0.266557 0.266751 0.266659 0.266359 0.265809 0.264955 0.263728 0.262041 0.259778 0.256783 0.252847 0.247676 0.240951 0.233442 0.223912 0.211886 0.196912 0.178822 0.158259 0.135957 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.470790827256e-23 1.921282138364736e-21 5.721164429916097e-21 1.0437059160877442e-20 1.522453914325613e-20 1.9647812336194562e-20 2.354414566031808e-20 2.6891573274155522e-20 2.9730630246213125e-20 3.2123000376391684e-20 3.413261051186112e-20 3.5818260534604806e-20 3.723041900817792e-20 3.8411223177707524e-20 3.939528005820288e-20 4.021110839351424e-20 4.088177952698112e-20 4.142603892506688e-20 4.185958791865537e-20 4.2194763267726726e-20 4.244213933797824e-20 4.261052810082433e-20 4.270713935105856e-20 4.2738221577502086e-20 4.2723481552590717e-20 4.267541625396672e-20 4.258729653982272e-20 4.24504706564064e-20 4.2253883585034244e-20 4.1983596389105284e-20 4.1621023819818244e-20 4.114117192188864e-20 4.0510555203941763e-20 3.9682069673326086e-20 3.860460589583808e-20 3.7401531471279366e-20 3.5874657151656963e-20 3.394787954748288e-20 3.154878027549696e-20 2.865044276846976e-20 2.5355886983118722e-20 2.178271268341056e-20 ] } }