{ "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" [ 9.87213 9.210661 8.800709 8.502857 8.268781 8.075929 7.911932 7.769269 7.643022 7.529801 7.427167 7.333308 7.246842 7.166688 7.091987 7.022044 6.956289 6.89425 6.835527 6.779785 6.726736 6.676131 6.627755 6.58142 6.549876 6.516678 6.481641 6.444551 6.405152 6.363137 6.318134 6.269684 6.217216 6.160003 6.097101 6.027251 5.948726 5.859062 5.754567 5.629344 5.473082 5.26514 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.87213e-10 9.210661e-10 8.800709e-10 8.502857e-10 8.268781000000001e-10 8.075929000000001e-10 7.911932e-10 7.769269000000001e-10 7.643022e-10 7.529801000000001e-10 7.427167e-10 7.333308e-10 7.246842e-10 7.166688e-10 7.091987e-10 7.022044000000001e-10 6.956289000000001e-10 6.89425e-10 6.835527e-10 6.779785000000001e-10 6.726736e-10 6.676131e-10 6.627755e-10 6.58142e-10 6.549876000000001e-10 6.516678e-10 6.481641e-10 6.444551e-10 6.405152e-10 6.363137e-10 6.318134e-10 6.269684e-10 6.217216e-10 6.160003e-10 6.097101000000001e-10 6.027251e-10 5.948726e-10 5.859062e-10 5.754567e-10 5.629344e-10 5.473082e-10 5.26514e-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" [ 0.901205 1.27059 1.55222 1.78145 1.9742 2.13937 2.2826 2.40776 2.51762 2.6143 2.69942 2.77428 2.83995 2.8973 2.94707 2.98989 3.02629 3.05675 3.08168 3.10144 3.11634 3.12669 3.13272 3.13469 3.13374 3.13062 3.12485 3.1158 3.10269 3.08451 3.05989 3.02706 2.98355 2.92594 2.84934 2.74651 2.60632 2.41086 2.12936 1.70459 1.01699 -0.230664 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.44388959344397e-19 2.03570960939406e-19 2.4869306148274796e-19 2.8541975646393e-19 3.1630171108427996e-19 3.42764862548058e-19 3.6571283847683997e-19 3.85765681227984e-19 4.0336719372910796e-19 4.1885703742662e-19 4.3249476493522794e-19 4.44488659217352e-19 4.5501015317283e-19 4.6419863616882e-19 4.72172669276238e-19 4.790331896230259e-19 4.84865112570786e-19 4.8974534259795e-19 4.93739568946512e-19 4.96905469975296e-19 4.992927131599559e-19 5.00950965976146e-19 5.01917078486448e-19 5.02232707283346e-19 5.02080500503116e-19 5.015806213933079e-19 5.0065616547549e-19 4.9920619562172e-19 4.97105742054546e-19 4.941929849339339e-19 4.90248426061026e-19 4.84988480171604e-19 4.7801740963707e-19 4.68787270048596e-19 4.56514597032156e-19 4.40039414704734e-19 4.17578500472688e-19 3.8626235598452395e-19 3.41161083737424e-19 2.73105426855006e-19 1.62939761501166e-19 -3.69564471104976e-20 ] } }