{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.15034 7.604237 7.265784 7.01988 6.82663 6.667413 6.532019 6.414237 6.310009 6.216534 6.131801 6.054312 5.982926 5.916752 5.855079 5.797335 5.743049 5.691829 5.643349 5.597329 5.553532 5.511753 5.471814 5.43356 5.394887 5.355035 5.313928 5.271486 5.227619 5.182227 5.135202 5.08642 5.035746 4.983028 4.928092 4.870744 4.810763 4.747896 4.68185 4.612286 4.538809 4.460952 4.37816 4.289764 4.194951 4.092715 3.981794 3.860576 3.726949 3.578081 3.410043 3.217157 2.990779 2.71678 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.150340000000001e-10 7.604237000000001e-10 7.265784e-10 7.01988e-10 6.82663e-10 6.667413e-10 6.532019000000001e-10 6.414237e-10 6.310009000000001e-10 6.216534000000001e-10 6.131801000000001e-10 6.054312e-10 5.982926e-10 5.916752e-10 5.855079e-10 5.797335000000001e-10 5.743049e-10 5.691829000000001e-10 5.643349e-10 5.597329000000001e-10 5.553532e-10 5.511753e-10 5.471814e-10 5.43356e-10 5.394887e-10 5.355035e-10 5.313928e-10 5.271486000000001e-10 5.227619e-10 5.182227e-10 5.135202e-10 5.08642e-10 5.035746e-10 4.983028e-10 4.928092e-10 4.870744e-10 4.810763e-10 4.747896e-10 4.68185e-10 4.6122860000000004e-10 4.5388089999999996e-10 4.460952e-10 4.3781600000000006e-10 4.289764e-10 4.194951e-10 4.0927150000000004e-10 3.981794e-10 3.860576e-10 3.726949e-10 3.5780810000000004e-10 3.410043e-10 3.217157e-10 2.990779e-10 2.71678e-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 1.30267 1.47497 1.61992 1.7445 1.85304 1.94844 2.03279 2.10765 2.17421 2.23342 2.28605 2.33273 4.3701 4.42927 4.47962 4.5218 4.55635 4.58377 4.60447 4.61886 4.62726 4.63 4.62706 4.61754 4.60027 4.57385 4.53662 4.48658 4.4213 4.33786 4.2327 4.10143 3.93865 3.73762 3.48991 3.18482 2.80869 2.34384 1.76719 0.737714 -0.262079 -1.53754 -3.18287 -5.3338 -8.1908 -12.4464 -17.9815 -29.8444 -43.2345 -64.1378 -103.45 -174.298 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 2.0871074358127799e-19 2.3631624698509795e-19 2.59539797294928e-19 2.7949971380129997e-19 2.96889738986736e-19 3.1217450407509596e-19 3.2568886398288595e-19 3.3768275826501e-19 3.48346845940914e-19 3.5783333379082803e-19 3.6626558941557e-19 3.73744549943082e-19 7.001672108243399e-19 7.096472899677179e-19 7.177142493199079e-19 7.244722303621199e-19 7.300077506325899e-19 7.34400918963018e-19 7.37717424595398e-19 7.400229567717239e-19 7.413687851442839e-19 7.418077815419999e-19 7.41336741611604e-19 7.398114694560359e-19 7.37044510409118e-19 7.3281155974209e-19 7.26846656133708e-19 7.188293642571719e-19 7.083703551904198e-19 6.95001793356324e-19 6.7815330387318e-19 6.571215311986619e-19 6.3104129995041e-19 5.98832743077108e-19 5.59145225676294e-19 5.10264418749588e-19 4.50001749014946e-19 3.75524568183456e-19 2.83135052583846e-19 1.1819481333746758e-19 -4.1989685006208595e-20 -2.4634106618403597e-19 -5.099519943059579e-19 -8.545689730429199e-19 -1.3123108373767197e-18 -1.99413312574176e-18 -2.8809539144271e-18 -4.7816000335749594e-18 -6.926930568267299e-18 -1.027600845161652e-17 -1.657451727873e-17 -2.7925618295293196e-17 ] } }