{ "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" [ "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 5.45664 5.091025 4.864431 4.699799 4.570418 4.463823 4.373176 4.294322 4.224541 4.16196 4.105231 4.053352 4.00556 3.961256 3.919966 3.881307 3.844962 3.810671 3.778213 3.747403 3.718081 3.69011 3.663371 3.63776 3.620325 3.601975 3.582609 3.562108 3.540331 3.517108 3.492233 3.465454 3.436453 3.40483 3.370061 3.331453 3.28805 3.23849 3.180732 3.111517 3.025146 2.91021 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.45664e-10 5.091025e-10 4.864431e-10 4.699798999999999e-10 4.570418e-10 4.4638229999999997e-10 4.373176e-10 4.294322e-10 4.2245410000000004e-10 4.16196e-10 4.105231e-10 4.0533520000000004e-10 4.0055600000000003e-10 3.9612560000000005e-10 3.9199660000000004e-10 3.881307e-10 3.8449620000000005e-10 3.810671e-10 3.778213e-10 3.747403e-10 3.7180810000000005e-10 3.69011e-10 3.663371e-10 3.6377600000000003e-10 3.620325e-10 3.601975e-10 3.5826090000000004e-10 3.562108e-10 3.540331e-10 3.517108e-10 3.4922330000000003e-10 3.465454e-10 3.4364530000000005e-10 3.40483e-10 3.3700610000000006e-10 3.3314530000000003e-10 3.2880500000000003e-10 3.23849e-10 3.180732e-10 3.1115170000000003e-10 3.025146e-10 2.9102100000000005e-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" [ 0.848795 1.24242 1.56591 1.84498 2.08542 2.29546 2.48042 2.64613 2.79585 2.92919 3.04779 3.15297 3.24582 3.32726 3.39806 3.45891 3.51408 3.56171 3.60106 3.63253 3.6565 3.67326 3.68313 3.68636 3.68479 3.67958 3.66989 3.6546 3.6323 3.60201 3.5608 3.5051 3.43034 3.33008 3.19494 3.01086 2.75586 2.40496 1.89405 1.10119 -0.225169 -2.73835 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3599195048519361e-19 1.9905762772143362e-19 2.508864392276928e-19 2.955983821843584e-19 3.3412111685487365e-19 3.677732345981568e-19 3.9740709337647364e-19 4.239567621597504e-19 4.47944550526368e-19 4.693079735881152e-19 4.883097883108033e-19 5.051614820083776e-19 5.200376919325056e-19 5.330858183323008e-19 5.444292288075649e-19 5.541784735451328e-19 5.630176819620864e-19 5.706488492069568e-19 5.769534142098049e-19 5.819954640354625e-19 5.8583588139552e-19 5.885211294119809e-19 5.901024777367104e-19 5.906199807852288e-19 5.903684390557633e-19 5.895337050363264e-19 5.879811958907712e-19 5.85531467837568e-19 5.819586139731841e-19 5.771056209887808e-19 5.70503051134464e-19 5.61578927356608e-19 5.496010549395072e-19 5.335376321393665e-19 5.118858172858752e-19 4.823929500501888e-19 4.415374462197888e-19 3.853170685959168e-19 3.0346026286262403e-19 1.764300873058752e-19 -3.607605075289152e-20 -4.387320349567681e-19 ] } }