{ "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" [ 8.13345 7.588479 7.250727 7.005333 6.812483 6.653596 6.518482 6.400945 6.296933 6.203652 6.119094 6.041765 5.970528 5.90449 5.842946 5.785321 5.731147 5.680034 5.631654 5.585729 5.542023 5.500331 5.460475 5.4223 5.396312 5.36896 5.340094 5.309536 5.277076 5.242461 5.205383 5.165466 5.122239 5.075102 5.023278 4.96573 4.901035 4.827162 4.74107 4.637901 4.50916 4.33784 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.13345e-10 7.588479000000001e-10 7.250727000000001e-10 7.005333000000001e-10 6.812483000000001e-10 6.653596e-10 6.518482e-10 6.400945e-10 6.296933e-10 6.203652e-10 6.119094e-10 6.041765e-10 5.970528e-10 5.904490000000001e-10 5.842946000000001e-10 5.785321e-10 5.731147e-10 5.680034000000001e-10 5.631654e-10 5.585729e-10 5.542023e-10 5.500331000000001e-10 5.460475e-10 5.4223e-10 5.396312e-10 5.36896e-10 5.340094e-10 5.309536e-10 5.277076e-10 5.242461e-10 5.205383e-10 5.165466000000001e-10 5.122239e-10 5.075102e-10 5.023278000000001e-10 4.96573e-10 4.901035000000001e-10 4.827162000000001e-10 4.74107e-10 4.6379010000000004e-10 4.50916e-10 4.33784e-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" [ 1.5543 2.08027 2.47254 2.78831 3.05215 3.27736 3.4722 3.6422 3.79131 3.92247 4.03794 4.13952 4.22866 4.30655 4.37419 4.43242 4.48156 4.52266 4.55647 4.58337 4.6037 4.61782 4.62607 4.62876 4.62746 4.62319 4.61527 4.60287 4.58487 4.55988 4.52603 4.48081 4.42081 4.34127 4.23533 4.09284 3.89817 3.62604 3.23289 2.63733 1.66837 -0.102194 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.4902631422261996e-19 3.3329599864111797e-19 3.9614458146303596e-19 4.46736513034854e-19 4.8900834134631e-19 5.25090961320624e-19 5.5630777085748e-19 5.835447736354799e-19 6.0743482942505395e-19 6.284489781565979e-19 6.46949311749396e-19 6.63224221997568e-19 6.7750602451304385e-19 6.899853783152699e-19 7.008225010676459e-19 7.101519756074279e-19 7.180250715869039e-19 7.24610017552644e-19 7.300269767521979e-19 7.34336831897658e-19 7.375940569945799e-19 7.398563304017879e-19 7.41178126124838e-19 7.416091116393839e-19 7.41400828676964e-19 7.40716699254246e-19 7.394477753601179e-19 7.37461076333958e-19 7.345771583927578e-19 7.305733189843919e-19 7.25149951078302e-19 7.17904908339354e-19 7.08291848535354e-19 6.955481355885179e-19 6.78574676327922e-19 6.557452614700559e-19 6.24555688935978e-19 5.80955656194936e-19 5.17966081829226e-19 4.2254685021472197e-19 2.6730234308665795e-19 -1.63732838934996e-20 ] } }