{ "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" [ "C" "C" "C" "C" ] } "a" { "source-value" [ 5.06868 4.72906 4.518577 4.365649 4.245467 4.146451 4.062249 3.989001 3.924182 3.86605 3.813354 3.765164 3.72077 3.679616 3.641262 3.605351 3.57159 3.539737 3.509587 3.480967 3.45373 3.427748 3.40291 3.37912 3.362924 3.345879 3.32789 3.308847 3.288619 3.267047 3.24394 3.219065 3.192126 3.162751 3.130455 3.094592 3.054275 3.008238 2.954587 2.890294 2.810064 2.7033 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.06868e-10 4.729059999999999e-10 4.5185769999999997e-10 4.3656490000000005e-10 4.245467e-10 4.146451e-10 4.062249000000001e-10 3.989001e-10 3.924182e-10 3.8660500000000003e-10 3.813354e-10 3.765164e-10 3.72077e-10 3.6796160000000003e-10 3.6412620000000004e-10 3.605351e-10 3.5715900000000003e-10 3.539737e-10 3.509587e-10 3.4809670000000005e-10 3.4537300000000004e-10 3.427748e-10 3.40291e-10 3.37912e-10 3.362924e-10 3.3458790000000003e-10 3.3278900000000004e-10 3.308847e-10 3.2886190000000003e-10 3.267047e-10 3.24394e-10 3.219065e-10 3.1921260000000003e-10 3.162751e-10 3.1304550000000003e-10 3.094592e-10 3.0542750000000003e-10 3.008238e-10 2.9545870000000003e-10 2.890294e-10 2.8100640000000004e-10 2.7033000000000004e-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" [ 0.316265 0.544566 0.751995 0.942072 1.11695 1.27811 1.42668 1.56353 1.68937 1.8048 1.9103 2.00632 2.09324 2.17139 2.24108 2.30257 2.35612 2.40193 2.44024 2.47121 2.49503 2.51186 2.52185 2.52515 2.52353 2.51813 2.50802 2.49199 2.46844 2.43528 2.38971 2.32789 2.24449 2.13188 1.97889 1.76857 1.47411 1.05093 0.419803 -0.572871 -2.26384 -5.54255 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.0671238897731205e-20 8.724909136825728e-20 1.204828807958496e-19 1.5093657335102978e-19 1.7895511766025604e-19 2.0477579608106882e-19 2.2857933413629443e-19 2.5050512119194244e-19 2.706669117880896e-19 2.89160836521984e-19 3.0606379987142405e-19 3.2144789978434565e-19 3.3537401897233925e-19 3.4789502926389126e-19 3.5906059813424644e-19 3.6891238217554557e-19 3.7749203797992964e-19 3.848316090798144e-19 3.9096954771409926e-19 3.9593148870871684e-19 3.997478734194624e-19 4.0244433667226884e-19 4.0404491111644803e-19 4.0457362940131202e-19 4.0431407678874245e-19 4.0344890141351046e-19 4.0182910084988166e-19 3.992608117267392e-19 3.9548768578475526e-19 3.9017486811018244e-19 3.8287374924919683e-19 3.7296909337941124e-19 3.596069403619392e-19 3.4156482943511046e-19 3.1705312931349123e-19 2.833561506248256e-19 2.3617845784874883e-19 1.683775476097344e-19 6.725985519417024e-20 -9.178405229343169e-20 -3.6270715212318725e-19 -8.88014402961504e-19 ] } }