{ "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" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "a" { "source-value" [ 9.64436 8.998152 8.597657 8.306677 8.078002 7.889599 7.729386 7.590014 7.46668 7.356071 7.255804 7.164111 7.07964 7.001335 6.928357 6.860028 6.795791 6.735182 6.677815 6.623359 6.571533 6.522096 6.474836 6.42957 6.398754 6.366322 6.332094 6.295859 6.257369 6.216323 6.172358 6.125026 6.073769 6.017877 5.956425 5.888187 5.811474 5.723878 5.621794 5.499461 5.346804 5.14366 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.644360000000002e-10 8.998151999999999e-10 8.597657e-10 8.306677000000001e-10 8.078002e-10 7.889599e-10 7.729386e-10 7.590014e-10 7.466680000000001e-10 7.356071e-10 7.255804e-10 7.164111e-10 7.07964e-10 7.001335e-10 6.928357e-10 6.860028e-10 6.795791000000001e-10 6.735182e-10 6.677815e-10 6.623359e-10 6.571533e-10 6.522096e-10 6.474836e-10 6.42957e-10 6.398754e-10 6.366322000000001e-10 6.332093999999999e-10 6.295859e-10 6.257369e-10 6.216323000000001e-10 6.172358e-10 6.125026e-10 6.073769000000001e-10 6.017877e-10 5.956425000000001e-10 5.888187e-10 5.811474e-10 5.723878e-10 5.621794e-10 5.499461e-10 5.346804e-10 5.14366e-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" [ 0.909871 1.2924 1.5845 1.82206 2.02148 2.19205 2.33967 2.4684 2.58118 2.68022 2.76727 2.84368 2.91059 2.96893 3.01947 3.06288 3.09973 3.13052 3.15568 3.17559 3.1906 3.20099 3.20705 3.20902 3.20807 3.20495 3.19918 3.19015 3.17708 3.15896 3.13447 3.10184 3.05867 3.00162 2.9259 2.82446 2.68651 2.49469 2.21936 1.80555 1.13908 -0.0620038 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.457774044143917e-19 2.07065306472192e-19 2.5386488556576e-19 2.9192619336948484e-19 3.238767995414784e-19 3.51205126162464e-19 3.748564574387136e-19 3.95481277078272e-19 4.135506250076544e-19 4.294185822600576e-19 4.433655297441216e-19 4.556077613036544e-19 4.663279250734272e-19 4.756750234791744e-19 4.837724241206976e-19 4.907274728315904e-19 4.966314936792385e-19 5.015645954946816e-19 5.055956718726144e-19 5.087856055246272e-19 5.11190472632448e-19 5.128551341414593e-19 5.13826053173664e-19 5.141416819679617e-19 5.139894751889857e-19 5.13489596083296e-19 5.125651401730945e-19 5.111183746845121e-19 5.090243298411265e-19 5.061211858042368e-19 5.021974552598976e-19 4.969695529462273e-19 4.9005295647423365e-19 4.809125388525696e-19 4.68780857479872e-19 4.525283778384769e-19 4.3042635135454087e-19 3.996933994143552e-19 3.5558067051386883e-19 2.89280999768544e-19 1.8250073452208642e-19 -9.934103876075904e-21 ] } }