{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 7.69704 7.18131 6.861681 6.629454 6.446951 6.296589 6.168725 6.057494 5.959063 5.870788 5.790766 5.717587 5.650172 5.587678 5.529435 5.474903 5.423636 5.375265 5.329481 5.28602 5.244659 5.205204 5.167486 5.13136 5.094838 5.057202 5.018382 4.9783 4.936872 4.894006 4.849596 4.803527 4.755672 4.705885 4.654005 4.599847 4.543202 4.483831 4.421458 4.355763 4.286373 4.212846 4.134659 4.051179 3.961639 3.865089 3.760338 3.645861 3.519666 3.379078 3.220386 3.038228 2.82444 2.56568 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.697040000000001e-10 7.18131e-10 6.861681e-10 6.629454000000001e-10 6.446951e-10 6.296589e-10 6.168725e-10 6.057494e-10 5.959063e-10 5.870788e-10 5.790766e-10 5.717587e-10 5.650172e-10 5.587678e-10 5.529435e-10 5.474903e-10 5.423636e-10 5.375265e-10 5.329481e-10 5.28602e-10 5.244659000000001e-10 5.205204e-10 5.167486000000001e-10 5.13136e-10 5.094838000000001e-10 5.057202e-10 5.018382e-10 4.9783e-10 4.936872e-10 4.894006000000001e-10 4.849596e-10 4.803527e-10 4.755672e-10 4.705885000000001e-10 4.6540049999999997e-10 4.599847e-10 4.543202e-10 4.4838310000000006e-10 4.421458e-10 4.3557629999999997e-10 4.2863730000000005e-10 4.212846e-10 4.134659e-10 4.0511790000000005e-10 3.961639e-10 3.8650890000000005e-10 3.760338e-10 3.6458610000000003e-10 3.5196660000000003e-10 3.379078e-10 3.220386e-10 3.038228e-10 2.82444e-10 2.56568e-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" [ 0.519067 0.681119 0.806112 0.91269 1.01476 1.13159 1.27532 1.44243 1.62015 1.79553 1.95966 2.10802 2.23899 2.35268 2.4501 2.53259 2.60157 2.65836 2.70412 2.7399 2.76656 2.78485 2.79544 2.79886 2.79522 2.78355 2.76251 2.73051 2.68567 2.62575 2.54803 2.4493 2.32555 2.1715 1.98113 1.74673 1.45855 1.10422 0.667859 0.12885 -0.539853 -1.37442 -2.42396 -3.75614 -5.46598 -7.68995 -10.6291 -14.5886 -20.0469 -27.7867 -39.1565 -56.6349 -85.1807 -135.9 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.316370188804779e-20 1.091272946773446e-19 1.291533810787008e-19 1.4622905920854598e-19 1.62582476111784e-19 1.81300705726806e-19 2.0432879048728798e-19 2.31102764218062e-19 2.5957664735750996e-19 2.8767562116460197e-19 3.1397214625844396e-19 3.3774203880046793e-19 3.5872574617596596e-19 3.7694089232791196e-19 3.9254929709633997e-19 4.0576565215020595e-19 4.16817466571538e-19 4.25916227676024e-19 4.33247787953208e-19 4.3898037594966e-19 4.43251778855904e-19 4.4618215991949e-19 4.47878864974896e-19 4.48426809383724e-19 4.47843617088948e-19 4.459738769570699e-19 4.426028973191339e-19 4.37475932090334e-19 4.3029177206347797e-19 4.2069152967255e-19 4.0823941287310195e-19 3.9242112296562e-19 3.7259418711986995e-19 3.479126560731e-19 3.17412019491642e-19 2.7985699919068196e-19 2.3368547295207e-19 1.7691554827954798e-19 1.0700280846066059e-19 2.0644045929089997e-20 -8.64939862394802e-20 -2.20206360930228e-19 -3.88361207375064e-19 -6.017999742032759e-19 -8.757465437911319e-19 -1.2320658206628299e-18 -1.7029695660449397e-18 -2.3373514042772398e-18 -3.21186747641346e-18 -4.4519201475967794e-18 -6.2735629369220995e-18 -9.07391134489266e-18 -1.364745272077638e-17 -2.1773580456059998e-17 ] } }