{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 4.16864 3.889325 3.716217 3.590444 3.491603 3.410168 3.340918 3.280676 3.227367 3.179558 3.136219 3.096586 3.060074 3.026228 2.994684 2.96515 2.937384 2.911187 2.88639 2.862853 2.840452 2.819083 2.798656 2.77909 2.75931 2.738927 2.717902 2.696195 2.673758 2.650542 2.62649 2.60154 2.575622 2.548658 2.52056 2.491229 2.460551 2.428396 2.394616 2.359036 2.321455 2.281634 2.239289 2.194078 2.145584 2.093294 2.036562 1.974562 1.906217 1.830076 1.74413 1.645476 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.1686400000000003e-10 3.889325e-10 3.716217e-10 3.5904440000000004e-10 3.491603e-10 3.4101680000000004e-10 3.340918e-10 3.2806760000000005e-10 3.227367e-10 3.179558e-10 3.1362190000000004e-10 3.096586e-10 3.060074e-10 3.0262280000000005e-10 2.994684e-10 2.96515e-10 2.937384e-10 2.911187e-10 2.88639e-10 2.862853e-10 2.840452e-10 2.819083e-10 2.798656e-10 2.77909e-10 2.75931e-10 2.738927e-10 2.717902e-10 2.696195e-10 2.673758e-10 2.650542e-10 2.62649e-10 2.60154e-10 2.575622e-10 2.548658e-10 2.52056e-10 2.491229e-10 2.460551e-10 2.4283960000000004e-10 2.394616e-10 2.3590360000000004e-10 2.3214549999999998e-10 2.2816340000000001e-10 2.239289e-10 2.1940780000000002e-10 2.1455840000000001e-10 2.0932940000000003e-10 2.036562e-10 1.974562e-10 1.906217e-10 1.830076e-10 1.74413e-10 1.645476e-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" [ -0.0789466 0.0741681 0.424252 0.675578 0.662754 0.581439 0.493257 0.43291 0.386602 0.340578 0.288857 0.232765 0.179794 0.142561 0.121509 0.111554 0.107992 0.107695 0.108798 0.111025 0.113383 0.11473 0.115264 0.115397 0.115257 0.11473 0.113458 0.111167 0.109049 0.107699 0.105898 0.101574 0.0971078 0.0957558 0.0917012 0.0807471 0.0814622 0.0811369 0.0818323 0.0819326 0.0819747 0.0820277 0.0820991 0.0819983 0.0563793 0.0296433 0.0274711 0.02642 0.0137015 0.0137233 0.013719 0.013719 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -1.264863978537444e-20 1.1883039680817539e-20 6.79726641327768e-20 1.0823952860444519e-19 1.0618489728900358e-19 9.31567979896326e-20 7.90284839956938e-20 6.9359828662494e-20 6.19404691057668e-20 5.45666113654452e-20 4.6279993596733793e-20 3.7293064421301e-20 2.88061745733396e-20 2.2840790311967398e-20 1.94678880620706e-20 1.78729212229236e-20 1.73022259058928e-20 1.7254641259862998e-20 1.74313613425932e-20 1.7788166078985e-20 1.81659593292822e-20 1.8381772521882e-20 1.84673287541376e-20 1.84886377033698e-20 1.8466207230493797e-20 1.8381772521882e-20 1.8177975654037198e-20 1.78109169871878e-20 1.74715759761066e-20 1.72552821305166e-20 1.69667301187332e-20 1.62739489421916e-20 1.555838481391452e-20 1.534177053299772e-20 1.469215199497608e-20 1.293711168832614e-20 1.3051683339423478e-20 1.299956453351946e-20 1.3110979896647819e-20 1.3127049728286838e-20 1.3133794891915979e-20 1.3142286428076179e-20 1.3153725969242938e-20 1.3137576028772218e-20 9.03295971012762e-21 4.74938026146522e-21 4.40135545302774e-21 4.232950667028e-21 2.1952223150750998e-21 2.19871506013722e-21 2.1980261241846e-21 2.1980261241846e-21 ] } }