{ "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" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 9.1179 8.506967 8.128335 7.853239 7.637047 7.458929 7.307461 7.175697 7.059096 6.954525 6.859732 6.773044 6.693183 6.619153 6.55016 6.48556 6.424829 6.367529 6.313293 6.26181 6.212814 6.166075 6.121395 6.0786 6.035336 5.990752 5.944766 5.897285 5.84821 5.79743 5.744822 5.69025 5.63356 5.574583 5.513126 5.44897 5.381869 5.311538 5.237651 5.159829 5.077629 4.99053 4.897909 4.79902 4.692951 4.578578 4.454489 4.31888 4.16939 4.00285 3.814863 3.599079 3.345826 3.0393 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.117900000000001e-10 8.506967e-10 8.128335000000001e-10 7.853239e-10 7.637047e-10 7.458929000000001e-10 7.307461e-10 7.175697e-10 7.059096000000001e-10 6.954525000000001e-10 6.859732e-10 6.773044e-10 6.693183000000001e-10 6.619153e-10 6.55016e-10 6.48556e-10 6.424829e-10 6.367529000000001e-10 6.313293e-10 6.26181e-10 6.212814e-10 6.166075e-10 6.121395e-10 6.0786e-10 6.035336e-10 5.990752e-10 5.944766000000001e-10 5.897285e-10 5.848210000000001e-10 5.79743e-10 5.744822e-10 5.69025e-10 5.633560000000001e-10 5.574583e-10 5.513126e-10 5.44897e-10 5.381869e-10 5.311537999999999e-10 5.237650999999999e-10 5.159829e-10 5.077629e-10 4.99053e-10 4.897909e-10 4.79902e-10 4.692951e-10 4.5785780000000003e-10 4.454489e-10 4.3188800000000003e-10 4.16939e-10 4.00285e-10 3.814863e-10 3.599079e-10 3.3458260000000005e-10 3.0393e-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 0.367639 1.09259 1.62232 1.91385 2.04831 2.15459 2.24573 2.32442 2.39264 2.4519 2.50338 2.54802 2.5866 2.61975 2.64801 2.67182 2.69159 2.70764 2.72026 2.72972 2.73624 2.74002 2.74125 2.73994 2.73576 2.72822 2.71678 2.7008 2.67951 2.65199 2.61715 2.57368 2.52001 2.45418 2.3821 2.33027 2.30043 2.28394 2.26185 2.20525 2.07803 1.84159 1.461 0.911122 0.143136 -0.984466 -2.66144 -5.12153 -8.55762 -13.3097 -21.3687 -36.5134 -66.7795 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 5.890226155471259e-20 1.7505221685420598e-19 2.59924319687088e-19 3.0663257509809e-19 3.2817544211885395e-19 3.4520337538500595e-19 3.59805613227282e-19 3.7241314116022797e-19 3.83343190157376e-19 3.9283768889046e-19 4.0108569420229195e-19 4.08237810696468e-19 4.1441900815043995e-19 4.197302236921499e-19 4.24257974859834e-19 4.2807275742538797e-19 4.31240260630806e-19 4.33811754128376e-19 4.35833701040484e-19 4.373493601362479e-19 4.38393979301616e-19 4.38999602069268e-19 4.3919666979525e-19 4.389867846561959e-19 4.383170748231839e-19 4.37109033641148e-19 4.35276143571852e-19 4.3271586531072e-19 4.2930483125693396e-19 4.24895641160166e-19 4.1931365776731e-19 4.12348995939312e-19 4.03750113944634e-19 3.9320298516301197e-19 3.8165449598513997e-19 3.73350414491118e-19 3.68569519415262e-19 3.6592753014579595e-19 3.6238832196128995e-19 3.5332000221284997e-19 3.32937111075102e-19 2.95055246740806e-19 2.340780062274e-19 1.4597783791233478e-19 2.2932915468422402e-20 -1.5772884221674439e-19 -4.2640969807929596e-19 -8.205595696330019e-19 -1.3710818806651079e-18 -2.13244903455498e-18 -3.4236431838955798e-18 -5.8500916307895594e-18 -1.0699255453020299e-17 ] } }