{ "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 5.383707 5.343937 5.302916 5.260562 5.216785 5.171488 5.12456 5.07588 5.025311 4.972701 4.917879 4.860651 4.800794 4.738057 4.672147 4.602728 4.529403 4.451708 4.369087 4.280875 4.186258 4.084234 3.973543 3.852575 3.719225 3.570666 3.402977 3.210491 2.984581 2.71115 ] "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 5.383707000000001e-10 5.343937000000001e-10 5.302916e-10 5.260562000000001e-10 5.216785e-10 5.171488e-10 5.12456e-10 5.07588e-10 5.025311000000001e-10 4.972701e-10 4.917879000000001e-10 4.860651e-10 4.800794e-10 4.738057e-10 4.672147e-10 4.602728e-10 4.5294030000000003e-10 4.451708e-10 4.3690870000000004e-10 4.280875e-10 4.186258e-10 4.0842340000000007e-10 3.973543e-10 3.852575e-10 3.719225e-10 3.5706660000000004e-10 3.402977e-10 3.210491e-10 2.984581e-10 2.71115e-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 4.62587 4.61654 4.59961 4.57372 4.53725 4.48824 4.42434 4.34271 4.23987 4.11158 3.95259 3.75638 3.5148 3.21751 2.85135 2.39933 1.83927 1.14185 0.267675 -0.83696 -2.24683 -4.06818 -6.45591 -9.6425 -13.9892 -20.0813 -28.917 -42.3115 -63.8526 -101.478 ] "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 7.411460825921579e-19 7.396512517926359e-19 7.36938766751274e-19 7.327907314458479e-19 7.2694759326165e-19 7.19095325578416e-19 7.088574168871559e-19 6.95778849023814e-19 6.7930206451975795e-19 6.58747740482172e-19 6.332747341782059e-19 6.01838426442492e-19 5.6313304331832e-19 5.15501934166134e-19 4.5683663453559e-19 3.84415046325522e-19 2.94683541761718e-19 1.8294453895328999e-19 4.2886263050594997e-20 -1.34095775559264e-19 -3.59981852657022e-19 -6.517942938906119e-19 -1.034350815320694e-18 -1.5448988193344999e-18 -2.2413169368352798e-18 -3.2173789640344198e-18 -4.6330141725378e-18 -6.7790496649491e-18 -1.023031437401484e-17 -1.6258568046505197e-17 ] } }