{ "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" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" [ 10.6422 9.929139 9.487213 9.16613 8.913797 8.705904 8.529116 8.375325 8.239232 8.11718 8.006541 7.905362 7.812151 7.725746 7.645219 7.569821 7.498938 7.432059 7.368756 7.308667 7.25148 7.196928 7.144779 7.09483 7.044333 6.992296 6.938621 6.883203 6.825923 6.766653 6.70525 6.641554 6.575387 6.50655 6.434818 6.359937 6.281617 6.199528 6.113288 6.022456 5.926514 5.824853 5.716748 5.601325 5.477524 5.344029 5.199195 5.040915 4.866432 4.672049 4.452634 4.200775 3.905182 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.06422e-09 9.929139e-10 9.487213e-10 9.166130000000001e-10 8.913797000000001e-10 8.705904e-10 8.529116e-10 8.375325000000001e-10 8.239232e-10 8.117179999999999e-10 8.006541000000001e-10 7.905362000000001e-10 7.812151e-10 7.725746000000001e-10 7.645219e-10 7.569821000000001e-10 7.498938000000001e-10 7.432059e-10 7.368756000000001e-10 7.308667e-10 7.25148e-10 7.196928e-10 7.144779000000001e-10 7.09483e-10 7.044333e-10 6.992296e-10 6.938621000000001e-10 6.883203e-10 6.825923e-10 6.766653000000001e-10 6.70525e-10 6.641554e-10 6.575387e-10 6.50655e-10 6.434818e-10 6.359937e-10 6.281617e-10 6.199528e-10 6.113288e-10 6.022456e-10 5.926514e-10 5.824853000000001e-10 5.716748e-10 5.601325000000001e-10 5.477524e-10 5.344029e-10 5.199194999999999e-10 5.040915e-10 4.866432e-10 4.672049e-10 4.4526339999999997e-10 4.2007750000000004e-10 3.905182e-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" [ 0.295322 0.44008 0.553116 0.652904 0.747147 0.83751 0.921458 0.996627 1.06277 1.12083 1.172 1.21729 1.25752 1.29331 1.32512 1.35325 1.37786 1.39902 1.41675 1.43108 1.44205 1.44973 1.45424 1.45571 1.45414 1.44905 1.43987 1.42591 1.40641 1.38043 1.3468 1.30409 1.25058 1.18417 1.10237 1.00187 0.877966 0.724971 0.535647 0.300755 0.00835043 -0.357341 -0.817955 -1.40437 -2.16181 -3.1572 -4.49044 -6.31458 -8.87582 -12.5952 -18.2446 -27.3641 -43.3598 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.7315800790614794e-20 7.0508589309072e-20 8.861895310915441e-20 1.046067533045136e-19 1.1970614655631978e-19 1.34183895274134e-19 1.476338476812372e-19 1.5967724922135179e-19 1.70274526131618e-19 1.79576763668622e-19 1.8777510150479997e-19 1.9503135948018599e-19 2.0147691607876799e-19 2.0721110625185397e-19 2.12307630124608e-19 2.1681455299604999e-19 2.20757509692324e-19 2.24147715449868e-19 2.2698837462195e-19 2.29284293738472e-19 2.3104188150597e-19 2.3227235316088197e-19 2.3299493482281596e-19 2.33230454788014e-19 2.32978913056476e-19 2.3216340514976996e-19 2.30692606999758e-19 2.2845596841869397e-19 2.2533172398239395e-19 2.21169269087262e-19 2.1578114906712e-19 2.0893825266330599e-19 2.00365005494772e-19 1.8972495046837798e-19 1.76619145602258e-19 1.60517270430558e-19 1.406656610646444e-19 1.161531596527614e-19 8.582011074721979e-20 4.8186263355867e-20 1.337886382985262e-21 -5.72523400570194e-20 -1.31050838866347e-19 -2.2500487994905797e-19 -3.46360146914754e-19 -5.058392068864799e-19 -7.19447804437896e-19 -1.011707252952372e-18 -1.4220631411589877e-18 -2.01797351405568e-18 -2.9231071816676395e-18 -4.38421216304394e-18 -6.947005841491319e-18 ] } }