{ "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" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" [ 9.95022 9.283518 8.870324 8.570115 8.334188 8.139811 7.974517 7.830725 7.703479 7.589363 7.485917 7.391316 7.304165 7.223377 7.148085 7.077589 7.011315 6.948784 6.889597 6.833414 6.779945 6.72894 6.680182 6.63348 6.601687 6.568225 6.532911 6.495528 6.455817 6.413469 6.368109 6.319276 6.266393 6.208727 6.145327 6.074924 5.995778 5.905403 5.800081 5.673867 5.516368 5.30678 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.95022e-10 9.283518000000002e-10 8.870324e-10 8.570115e-10 8.334187999999999e-10 8.139811000000001e-10 7.974517e-10 7.830725e-10 7.703479e-10 7.589363e-10 7.485917e-10 7.391316e-10 7.304165000000001e-10 7.223377e-10 7.148085000000001e-10 7.077589e-10 7.011315e-10 6.948784e-10 6.889597000000001e-10 6.833414000000001e-10 6.779945e-10 6.72894e-10 6.680182000000001e-10 6.63348e-10 6.601687e-10 6.568225e-10 6.532911000000001e-10 6.495528000000001e-10 6.455817e-10 6.413469e-10 6.368109e-10 6.319276000000001e-10 6.266393e-10 6.208727e-10 6.145327e-10 6.074924000000001e-10 5.995777999999999e-10 5.905403e-10 5.800081e-10 5.673867e-10 5.516368e-10 5.30678e-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" [ 2.60647 3.25985 3.70441 4.04685 4.3314 4.55379 4.73802 4.89346 5.02578 5.13905 5.23641 5.32084 5.3957 5.46209 5.51804 5.56422 5.60239 5.63371 5.65895 5.67868 5.69339 5.70348 5.70931 5.71119 5.71029 5.70736 5.70198 5.69361 5.68158 5.66504 5.64287 5.61359 5.57523 5.52508 5.45942 5.37313 5.25836 5.1004 4.87617 4.5459 4.03224 3.1357 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.176025296816576e-19 5.222855457314881e-19 5.935119095857728e-19 6.48376845788448e-19 6.939667815333121e-19 7.295975874032833e-19 7.591144872882816e-19 7.840187206819969e-19 8.052187217284225e-19 8.233665763122241e-19 8.389653678923329e-19 8.524925451017471e-19 8.64486439285056e-19 8.751232898705473e-19 8.840874680639232e-19 8.914863196987776e-19 8.976018278603713e-19 9.026198450367169e-19 9.06663738827616e-19 9.098248333004545e-19 9.121816351096513e-19 9.137982313200384e-19 9.147323002899648e-19 9.150335094946753e-19 9.148893135988033e-19 9.14419875848909e-19 9.135579048269185e-19 9.122168829953087e-19 9.102894645204864e-19 9.076394643896833e-19 9.040874388213697e-19 8.993962656756674e-19 8.932503161582785e-19 8.852154004049665e-19 8.746955087127936e-19 8.608703266519104e-19 8.424821455749888e-19 8.17174163672832e-19 7.812485573046336e-19 7.28333470049472e-19 6.460360657454592e-19 5.023945229842561e-19 ] } }