{ "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 0.00309622 0.177095 0.762761 1.5985 2.40582 3.04045 3.48792 3.78719 3.9852 4.12074 4.22076 4.30135 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 1.04759 0.133237 -1.07598 -2.7523 -5.13394 -8.46338 -12.9167 -18.7482 -27.0282 -40.1579 -61.1576 -96.4543 -166.586 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 4.960691337723479e-22 2.8373747099823e-20 1.222077851526474e-19 2.561079349449e-19 3.8545485896098794e-19 4.871337946845299e-19 5.588263925261279e-19 6.067747326518459e-19 6.384994321816799e-19 6.602153342789159e-19 6.76240304972184e-19 6.8915224646559e-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 1.67842422001206e-19 2.1346920818425798e-20 -1.7239100146513198e-19 -4.4096707497582e-19 -8.22547870835796e-19 -1.3559829680662921e-18 -2.06948349283878e-18 -3.0037927969558798e-18 -4.33039504990788e-18 -6.434004905050859e-18 -9.798527771151839e-18 -1.545368257088262e-17 -2.66900196751524e-17 ] } }