{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.25009 7.697303 7.354708 7.105795 6.910179 6.749014 6.611962 6.492739 6.387236 6.292617 6.206846 6.128409 6.05615 5.989165 5.926738 5.868287 5.813337 5.76149 5.712416 5.665833 5.6215 5.57921 5.538782 5.50006 5.460914 5.420573 5.378964 5.336002 5.291598 5.245651 5.19805 5.148672 5.097378 5.044014 4.988406 4.930356 4.869641 4.806004 4.73915 4.668735 4.594358 4.515549 4.431743 4.342266 4.246292 4.142805 4.030527 3.907824 3.772562 3.621872 3.451778 3.256531 3.027382 2.75003 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.25009e-10 7.697303e-10 7.354708e-10 7.105795e-10 6.910179e-10 6.749014e-10 6.611962000000001e-10 6.492739000000001e-10 6.387236e-10 6.292617e-10 6.206846e-10 6.128409000000001e-10 6.05615e-10 5.989165e-10 5.926738000000001e-10 5.868287e-10 5.813337e-10 5.76149e-10 5.712416000000001e-10 5.665833e-10 5.621500000000001e-10 5.57921e-10 5.538782000000001e-10 5.50006e-10 5.460914e-10 5.420573000000001e-10 5.378964e-10 5.336002e-10 5.291598e-10 5.245651e-10 5.19805e-10 5.148672e-10 5.097378000000001e-10 5.044014e-10 4.988406000000001e-10 4.930356e-10 4.869641e-10 4.806004e-10 4.73915e-10 4.668735e-10 4.5943579999999997e-10 4.515549e-10 4.431743e-10 4.3422660000000006e-10 4.2462920000000007e-10 4.1428050000000005e-10 4.0305270000000005e-10 3.907824e-10 3.7725620000000003e-10 3.6218720000000006e-10 3.451778e-10 3.256531e-10 3.027382e-10 2.75003e-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" [ 0.517128 0.696225 0.830023 0.937691 1.02762 1.10442 1.17086 1.2288 1.27962 1.32437 1.36377 1.39846 1.42891 1.45553 1.47864 1.49855 1.5155 1.5297 1.54133 1.55057 1.55757 1.56244 1.56529 1.56622 1.56522 1.562 1.55622 1.54734 1.53477 1.51791 1.49585 1.46758 1.43185 1.38714 1.33155 1.2627 1.17759 1.07238 0.942217 0.780684 0.579319 0.326734 0.00754996 -0.399666 -0.925344 -1.61368 -2.53078 -3.77887 -5.5231 -8.04384 -11.8466 -17.92 -28.4149 -48.7695 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.28530398387152e-20 1.11547542700665e-19 1.329843456282582e-19 1.5023466101120939e-19 1.64642875263108e-19 1.76947591812228e-19 1.87592453368524e-19 1.9687546478591998e-19 2.0501772643990798e-19 2.12187466877058e-19 2.18500042815018e-19 2.24057993558364e-19 2.2893662140889396e-19 2.33201615608602e-19 2.36904245809776e-19 2.4009417948806997e-19 2.428098688827e-19 2.4508495970297998e-19 2.46948291128322e-19 2.48428702338138e-19 2.4955022598193795e-19 2.50330486002696e-19 2.50787106343386e-19 2.5093610877034796e-19 2.50775891106948e-19 2.502599902308e-19 2.49333932136348e-19 2.47911199285356e-19 2.4589726325641797e-19 2.43195993451494e-19 2.3966159179688997e-19 2.35132238452572e-19 2.2940766133929e-19 2.22244329608676e-19 2.1333782970026998e-19 2.0230684357517997e-19 1.8867071824320598e-19 1.71814217876892e-19 1.5095980615575777e-19 1.250793663337656e-19 9.28171365432246e-20 5.23485580333356e-20 1.209636949963464e-21 -6.40335526604244e-20 -1.482564535212096e-19 -2.58540039075312e-19 -4.0547565817945196e-19 -6.054417216923579e-19 -8.8489817672454e-19 -1.2887652495634559e-18 -1.89803457123444e-18 -2.8711005281280002e-18 -4.55256888374466e-18 -7.8137353351863e-18 ] } }