{ "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" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" ] } "a" { "source-value" [ 10.3065 9.615928 9.18794 8.876983 8.632609 8.431272 8.26006 8.11112 7.979319 7.861116 7.753967 7.655979 7.565708 7.482027 7.40404 7.33102 7.262372 7.197603 7.136297 7.078103 7.022719 6.969888 6.919384 6.87101 6.838078 6.803419 6.766841 6.728119 6.686986 6.643122 6.596138 6.545557 6.49078 6.43105 6.36538 6.292456 6.210476 6.116866 6.007773 5.87704 5.713902 5.49681 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.03065e-09 9.615928e-10 9.187939999999999e-10 8.876982999999999e-10 8.632609000000001e-10 8.431272e-10 8.26006e-10 8.11112e-10 7.979319e-10 7.861116e-10 7.753967e-10 7.655979000000001e-10 7.565708000000001e-10 7.482027000000001e-10 7.404040000000001e-10 7.33102e-10 7.262372e-10 7.197603e-10 7.136297000000001e-10 7.078103e-10 7.022719000000001e-10 6.969888e-10 6.919384e-10 6.87101e-10 6.838078000000001e-10 6.803419e-10 6.766841e-10 6.728119000000001e-10 6.686986e-10 6.643122e-10 6.596138e-10 6.545557e-10 6.49078e-10 6.43105e-10 6.36538e-10 6.292456e-10 6.210476e-10 6.116866e-10 6.007773e-10 5.87704e-10 5.713902e-10 5.49681e-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 0.0351884 0.124691 0.192258 0.25008 0.303113 0.352515 0.398536 0.441222 0.480599 0.516705 0.549602 0.579366 0.606081 0.629839 0.650732 0.668853 0.684293 0.697139 0.707477 0.715388 0.720949 0.724234 0.725314 0.724786 0.723039 0.719779 0.71463 0.707108 0.696577 0.682193 0.662816 0.636874 0.602153 0.555446 0.491957 0.404229 0.280142 0.10126 -0.167256 -0.608966 -1.44605 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 5.637803180335873e-21 1.997770050241728e-20 3.080312727617664e-20 4.0067232932966406e-20 4.8564056206055044e-20 5.647912914813121e-20 6.385250617471488e-20 7.069155729826176e-20 7.700044817798593e-20 8.27852670850464e-20 8.805594751449217e-20 9.28246660086413e-20 9.710488085110848e-20 1.0091133206680514e-19 1.0425875968064256e-19 1.0716206393519425e-19 1.0963582463770944e-19 1.1169398072478912e-19 1.1335031091537217e-19 1.1461779284008705e-19 1.1550876325891392e-19 1.1603507827884674e-19 1.1620811335389314e-19 1.161235184283149e-19 1.1584361817266111e-19 1.1532130859428032e-19 1.144963478522304e-19 1.1329119059806463e-19 1.1160393839870016e-19 1.0929936754734145e-19 1.0619482990921728e-19 1.0203846331953794e-19 9.647554587445826e-20 8.899225953168769e-20 7.882020038389056e-20 6.476462532493632e-20 4.4883696290415366e-20 1.62236404622208e-20 -2.679736528885248e-20 -9.756710880620929e-20 -2.3168275025078404e-19 ] } }