{ "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" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" [ 9.25718 8.636914 8.252498 7.973199 7.753704 7.572865 7.419084 7.285307 7.166924 7.060756 6.964515 6.876503 6.795422 6.720261 6.650213 6.584627 6.522969 6.464793 6.409729 6.357459 6.307714 6.260261 6.214899 6.17145 6.141871 6.110741 6.077886 6.043107 6.006162 5.966764 5.924563 5.879132 5.829932 5.776283 5.717299 5.6518 5.578166 5.494087 5.396101 5.278678 5.13215 4.93716 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.257180000000001e-10 8.636914000000001e-10 8.252498e-10 7.973199000000001e-10 7.753704e-10 7.572865e-10 7.419084e-10 7.285307000000001e-10 7.166924e-10 7.060755999999999e-10 6.964515e-10 6.876503e-10 6.795422000000001e-10 6.720261e-10 6.650213e-10 6.584627000000001e-10 6.522969e-10 6.464793e-10 6.409729e-10 6.357459e-10 6.307714e-10 6.260261000000001e-10 6.214899000000001e-10 6.17145e-10 6.141871e-10 6.110741e-10 6.077886000000001e-10 6.043107000000001e-10 6.006162e-10 5.966764e-10 5.924563e-10 5.879132000000001e-10 5.829932000000001e-10 5.776283000000001e-10 5.717299e-10 5.6518e-10 5.578166000000001e-10 5.494087000000001e-10 5.396101e-10 5.278678000000001e-10 5.132150000000001e-10 4.937160000000001e-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" [ 0.322203 0.506705 0.65811 0.793719 0.92403 1.04279 1.14719 1.23894 1.3201 1.39232 1.45718 1.51612 1.57019 1.61992 1.66533 1.70634 1.74287 1.77488 1.80199 1.82389 1.84056 1.85213 1.85885 1.86103 1.86002 1.85669 1.85062 1.84124 1.82787 1.80963 1.78539 1.75363 1.71235 1.65882 1.58921 1.49791 1.37636 1.21086 0.978683 0.640381 0.121489 -0.752425 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.1622611375162246e-20 8.11830904642464e-20 1.0544084559146881e-19 1.2716780252847552e-19 1.4804592629178242e-19 1.6707337584040323e-19 1.838000997615552e-19 1.985000702573952e-19 2.11503335711808e-19 2.230742552672256e-19 2.334659728297344e-19 2.429092018327296e-19 2.5157217082139523e-19 2.5953979515663364e-19 2.668152791916864e-19 2.733858055135872e-19 2.792385567093696e-19 2.843671240725504e-19 2.887106248915392e-19 2.922193916910912e-19 2.948902201179648e-19 2.967439384682304e-19 2.97820601157408e-19 2.981698756607424e-19 2.980080558220416e-19 2.974745310073152e-19 2.965020097984896e-19 2.9499916812817924e-19 2.9285705798616964e-19 2.8993468782983044e-19 2.860510117010112e-19 2.809624987533504e-19 2.7434871366268803e-19 2.657722622115456e-19 2.5461951075415683e-19 2.3999163820625283e-19 2.205171813804288e-19 1.9400115830618882e-19 1.5680230217744066e-19 1.0260034666045248e-19 1.9464683548437122e-20 -1.2055177439054402e-19 ] } }