{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 6.19693 5.781713 5.524379 5.337412 5.190478 5.069421 4.966477 4.876925 4.797677 4.726606 4.662181 4.603264 4.548988 4.498673 4.451782 4.407878 4.366603 4.327659 4.290798 4.255808 4.222508 4.190742 4.160375 4.13129 4.111489 4.09065 4.068657 4.045374 4.020643 3.994269 3.966019 3.935606 3.902671 3.866757 3.827272 3.783425 3.734133 3.677849 3.612255 3.533649 3.43556 3.30503 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.19693e-10 5.781713e-10 5.524379e-10 5.337412e-10 5.190478e-10 5.069421000000001e-10 4.966477e-10 4.876925e-10 4.797677000000001e-10 4.726606000000001e-10 4.662181000000001e-10 4.6032640000000004e-10 4.548988e-10 4.4986730000000004e-10 4.451782e-10 4.4078780000000006e-10 4.3666029999999996e-10 4.327659e-10 4.2907979999999997e-10 4.2558080000000004e-10 4.2225080000000006e-10 4.1907420000000003e-10 4.160375e-10 4.13129e-10 4.111489e-10 4.09065e-10 4.068657e-10 4.045374e-10 4.020643e-10 3.9942690000000003e-10 3.9660190000000004e-10 3.935606e-10 3.902671e-10 3.8667570000000003e-10 3.827272e-10 3.783425e-10 3.734133e-10 3.677849e-10 3.612255e-10 3.533649e-10 3.43556e-10 3.30503e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.45538 2.25028 2.69951 2.99162 3.23637 3.45996 3.66847 3.86476 4.05058 4.22795 4.39811 4.56061 4.71376 4.85524 4.98322 5.09665 5.19296 5.26744 5.31576 5.33928 5.34537 5.34561 5.34724 5.34876 5.34739 5.3417 5.32866 5.3042 5.26289 5.19743 5.0981 4.95196 4.74206 4.44659 4.03878 3.48974 2.77499 1.83335 0.38066 -2.82008 -13.5298 -64.4415 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.33177582959092e-19 3.60534603595752e-19 4.3250918452493397e-19 4.79310366180708e-19 5.18523639297858e-19 5.54346706657464e-19 5.8775369165299795e-19 6.192028168017839e-19 6.489744630147719e-19 6.7739226997203e-19 7.04654907576174e-19 7.306902778786739e-19 7.552276130283839e-19 7.77895208046216e-19 7.98399864608148e-19 8.1657335416761e-19 8.320039173296639e-19 8.439369288996959e-19 8.51678646395184e-19 8.554469658383519e-19 8.56422691408458e-19 8.564611436476739e-19 8.567222984390159e-19 8.56965829287384e-19 8.567463310885259e-19 8.5583469258378e-19 8.5374545425304395e-19 8.498265302062799e-19 8.432079385312258e-19 8.327200902850619e-19 8.168056697795398e-19 7.933914604502639e-19 7.59761772902604e-19 7.124222598978059e-19 6.47083894586652e-19 5.591179886735159e-19 4.446024137583659e-19 2.9373505319438996e-19 6.098845574984399e-20 -4.51826628201072e-19 -2.16771294226932e-18 -1.03246665559911e-17 ] } }