{ "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" [ 9.94065 9.27459 8.861792 8.561873 8.326172 8.131982 7.966847 7.823193 7.69607 7.582063 7.478717 7.384207 7.29714 7.21643 7.14121 7.070782 7.004571 6.942101 6.882971 6.826842 6.773425 6.722468 6.673757 6.6271 6.579932 6.531326 6.481189 6.429424 6.375921 6.320559 6.263204 6.203707 6.141902 6.077603 6.0106 5.940656 5.8675 5.790822 5.710268 5.625424 5.535807 5.440848 5.33987 5.232057 5.116417 4.991724 4.856438 4.708593 4.545613 4.364045 4.159096 3.923841 3.647736 3.31355 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.94065e-10 9.27459e-10 8.861792e-10 8.561873000000001e-10 8.326172e-10 8.131982000000001e-10 7.966847e-10 7.823193e-10 7.69607e-10 7.582063e-10 7.478716999999999e-10 7.384207e-10 7.29714e-10 7.21643e-10 7.14121e-10 7.070782e-10 7.004571000000001e-10 6.942101000000001e-10 6.882971000000001e-10 6.826842000000001e-10 6.773425e-10 6.722468e-10 6.673757e-10 6.627100000000001e-10 6.579932e-10 6.531326e-10 6.481189e-10 6.429424e-10 6.375921e-10 6.320559e-10 6.263204e-10 6.203707e-10 6.141902e-10 6.077603e-10 6.0106e-10 5.940656e-10 5.8675e-10 5.790822e-10 5.710268000000001e-10 5.625424e-10 5.535807000000001e-10 5.440848e-10 5.33987e-10 5.232057000000001e-10 5.116417e-10 4.991724e-10 4.856438e-10 4.708592999999999e-10 4.5456130000000003e-10 4.364045e-10 4.159096e-10 3.923841e-10 3.6477360000000003e-10 3.3135500000000004e-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 8.49591e-21 0.000167674 0.00967774 0.0469701 0.109598 0.186152 0.267417 0.347682 0.423769 0.494057 0.557837 0.614916 0.665388 0.709503 0.747581 0.779978 0.807048 0.82914 0.846582 0.859683 0.868727 0.873978 0.875678 0.873867 0.868054 0.857595 0.84174 0.819608 0.790164 0.752176 0.704181 0.644423 0.570783 0.480682 0.370962 0.237713 0.0760511 -0.120182 -0.358863 -0.650188 -1.00734 -1.44611 -1.99001 -2.6958 -3.69001 -5.20179 -7.60075 -11.4577 -17.7782 -29.0772 -50.9495 -93.9768 -183.99 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 1.3611948486566938e-39 2.68643364929316e-23 1.550544889792716e-21 7.52543967166434e-21 1.7559535473313198e-20 2.98248384772368e-20 4.28449268934378e-20 5.570479764623879e-20 6.78952790013546e-20 7.91566581264138e-20 8.93753406980658e-20 9.85204047072744e-20 1.0660691061439919e-19 1.136749128352902e-19 1.197756810222354e-19 1.2496625266340518e-19 1.2930334481164318e-19 1.32842873431476e-19 1.3563738991649878e-19 1.3773640152470218e-19 1.391854100724918e-19 1.400267130230052e-19 1.4029908305078518e-19 1.4000892886236778e-19 1.3907758358502359e-19 1.37401867043523e-19 1.34861615990316e-19 1.313156786639472e-19 1.2659822978279758e-19 1.205118811855584e-19 1.1282223443067538e-19 1.0324794730121819e-19 9.14495185684422e-20 7.701374687843879e-20 5.943466485019079e-20 3.80858214198042e-20 1.2184729540999738e-20 -1.9255279222738797e-20 -5.74961913407142e-20 -1.0417160213071919e-19 -1.6139366104935597e-19 -2.31692365219374e-19 -3.18834752342634e-19 -4.3191477699372e-19 -5.91204780122634e-19 -8.33418639297486e-19 -1.21777440508755e-18 -1.83572592193818e-18 -2.8483816634578794e-18 -4.65868104221448e-18 -8.1630098413983e-18 -1.5056743309809118e-17 -2.9478447888966e-17 ] } }