{ "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 9.29275 8.670102 8.28421 8.003838 7.783501 7.601967 7.447595 7.313304 7.194467 7.087891 6.99128 6.90293 6.821538 6.746089 6.675772 6.609934 6.548039 6.48964 6.434364 6.381893 6.331957 6.284322 6.238786 6.19517 6.165478 6.134227 6.101247 6.066334 6.029247 5.989698 5.947335 5.901729 5.852341 5.798486 5.739275 5.673524 5.599608 5.515206 5.416843 5.298969 5.151878 4.95614 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.29275e-10 8.670102e-10 8.28421e-10 8.003838000000001e-10 7.783501e-10 7.601967e-10 7.447595e-10 7.313304e-10 7.194467e-10 7.087891e-10 6.99128e-10 6.90293e-10 6.821538e-10 6.746089e-10 6.675772e-10 6.609934000000001e-10 6.548039000000001e-10 6.48964e-10 6.434364000000001e-10 6.381893e-10 6.331957e-10 6.284322e-10 6.238786e-10 6.19517e-10 6.165478e-10 6.134227000000001e-10 6.101247e-10 6.066334000000001e-10 6.029247e-10 5.989698e-10 5.947335000000001e-10 5.901728999999999e-10 5.852341e-10 5.798486e-10 5.739275e-10 5.673524e-10 5.599608e-10 5.515206000000001e-10 5.416843000000001e-10 5.298968999999999e-10 5.151878e-10 4.95614e-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" [ 1.56077 2.36327 3.03698 3.57766 4.0023 4.33357 4.58669 4.77725 4.92217 5.03572 5.12705 5.20212 5.26496 5.31828 5.36396 5.40332 5.43734 5.46679 5.49218 5.51338 5.53 5.54193 5.54922 5.5518 5.55039 5.54548 5.53578 5.51956 5.49454 5.45763 5.40628 5.33993 5.25914 5.16565 5.06262 4.9512 4.8295 4.69489 4.54392 4.36565 4.11247 3.57376 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.50062922504818e-19 3.7863759738331797e-19 4.865778393925319e-19 5.732043256396439e-19 6.4123915422582e-19 6.943144595803379e-19 7.348687545401459e-19 7.6539983247765e-19 7.88618576257578e-19 8.06811291936648e-19 8.214439711349699e-19 8.334715111264079e-19 8.435395890944639e-19 8.5208239490695185e-19 8.594011377710639e-19 8.657073050024879e-19 8.71157909911356e-19 8.758763200984858e-19 8.79944246572212e-19 8.833408610362919e-19 8.86003678602e-19 8.87915075326362e-19 8.89083062092548e-19 8.8949642366412e-19 8.89270516758726e-19 8.88483848031432e-19 8.869297366964519e-19 8.84331006196104e-19 8.803223602578359e-19 8.74408726301742e-19 8.661815492861519e-19 8.555511073195619e-19 8.42607122293476e-19 8.2762837294221e-19 8.11121147082108e-19 7.932696950260799e-19 7.737712053903e-19 7.52204305720026e-19 7.280162450765279e-19 6.994542422222099e-19 6.588903342025979e-19 5.725794767523839e-19 ] } }