{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Si" "Si" ] } "a" { "source-value" [ 4.7856 4.464947 4.266219 4.121833 4.008363 3.914876 3.835377 3.76622 3.705021 3.650136 3.600383 3.554884 3.512969 3.474114 3.437902 3.403996 3.372121 3.342047 3.313581 3.286559 3.260843 3.236312 3.212861 3.1904 3.175109 3.159016 3.142031 3.124052 3.104952 3.084585 3.062769 3.039283 3.013849 2.986114 2.955621 2.921761 2.883695 2.84023 2.789575 2.728871 2.653122 2.55232 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.785599999999999e-10 4.464947000000001e-10 4.2662190000000006e-10 4.121833e-10 4.0083630000000004e-10 3.914876e-10 3.835377e-10 3.76622e-10 3.705021e-10 3.6501359999999997e-10 3.600383e-10 3.554884e-10 3.512969e-10 3.474114e-10 3.4379019999999997e-10 3.403996e-10 3.372121e-10 3.342047e-10 3.3135810000000005e-10 3.286559e-10 3.260843e-10 3.236312e-10 3.2128610000000003e-10 3.1904e-10 3.175109e-10 3.159016e-10 3.142031e-10 3.124052e-10 3.104952e-10 3.0845850000000003e-10 3.062769e-10 3.0392830000000003e-10 3.013849e-10 2.9861140000000005e-10 2.955621e-10 2.921761e-10 2.883695e-10 2.84023e-10 2.789575e-10 2.728871e-10 2.653122e-10 2.55232e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.870472 1.33577 1.71749 2.04365 2.32806 2.57903 2.80205 3.00107 3.17903 3.33823 3.4805 3.60735 3.72001 3.81955 3.90688 3.98277 4.04791 4.10291 4.1483 4.18457 4.21215 4.23142 4.24275 4.24646 4.24466 4.2387 4.22761 4.21016 4.18473 4.14923 4.10088 4.03593 3.94921 3.83347 3.67816 3.46759 3.17725 2.76715 2.16754 1.24614 -0.279676 -3.13371 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.394649898951248e-19 2.1401394823981796e-19 2.7517223471286598e-19 3.2742882780740996e-19 3.7299633345500394e-19 4.1320616043850197e-19 4.4893790372997e-19 4.80824423099838e-19 5.09336758478502e-19 5.348434104917819e-19 5.576375774637e-19 5.779611880659899e-19 5.960113100246339e-19 6.1195937623947e-19 6.25951184784192e-19 6.381101032596179e-19 6.48546681853494e-19 6.5735865334049385e-19 6.6463093308222e-19 6.70442027733738e-19 6.7486083089031e-19 6.77948225264028e-19 6.7976349139035e-19 6.803578989215639e-19 6.800695071274439e-19 6.791146098535799e-19 6.77337795966474e-19 6.74541997740144e-19 6.70467662559882e-19 6.64779935509182e-19 6.57033411483792e-19 6.466272742459619e-19 6.327331984759139e-19 6.14189606113998e-19 5.89306200811344e-19 5.55569167429206e-19 5.0905157103765e-19 4.4334630727731e-19 3.4727819412603595e-19 1.9965363906927598e-19 -4.480903522905839e-20 -5.02075693973214e-19 ] } }