{ "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" [ "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" [ 4.17564 3.895857 3.722458 3.596475 3.497467 3.415896 3.34653 3.286187 3.232789 3.184899 3.141488 3.101788 3.065215 3.031312 2.999716 2.970132 2.942319 2.916078 2.89124 2.867663 2.845225 2.82382 2.803358 2.78376 2.763947 2.743529 2.722469 2.700725 2.678251 2.654995 2.630903 2.605911 2.579949 2.55294 2.524795 2.495414 2.464684 2.432476 2.398638 2.362999 2.325355 2.285467 2.24305 2.197763 2.149187 2.096809 2.039981 1.977877 1.909417 1.833148 1.747058 1.648237 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.17564e-10 3.895857e-10 3.7224580000000004e-10 3.596475e-10 3.497467e-10 3.4158960000000003e-10 3.34653e-10 3.286187e-10 3.232789e-10 3.184899e-10 3.141488e-10 3.101788e-10 3.065215e-10 3.031312e-10 2.999716e-10 2.9701320000000003e-10 2.942319e-10 2.916078e-10 2.89124e-10 2.867663e-10 2.8452250000000004e-10 2.8238200000000003e-10 2.803358e-10 2.78376e-10 2.763947e-10 2.7435290000000003e-10 2.722469e-10 2.700725e-10 2.678251e-10 2.654995e-10 2.630903e-10 2.605911e-10 2.579949e-10 2.55294e-10 2.5247950000000004e-10 2.495414e-10 2.4646840000000004e-10 2.4324759999999997e-10 2.398638e-10 2.3629989999999997e-10 2.3253550000000002e-10 2.285467e-10 2.2430500000000003e-10 2.1977630000000003e-10 2.149187e-10 2.096809e-10 2.039981e-10 1.977877e-10 1.909417e-10 1.8331480000000002e-10 1.7470580000000002e-10 1.648237e-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" [ -1.76912 -0.984861 -0.261463 0.388787 0.972018 1.49575 1.96663 2.39022 2.77111 3.11319 3.41971 3.69348 3.93689 4.15205 4.3408 4.50478 4.64545 4.76411 4.86194 4.94 4.99927 5.04064 5.06491 5.07285 5.06427 5.03645 4.9858 4.90807 4.79816 4.64991 4.45597 4.20734 3.89308 3.49981 3.01095 2.40592 1.65895 0.737503 -0.400024 -1.80705 -3.55336 -5.73099 -8.46412 -11.9284 -16.3815 -22.2071 -29.986 -40.605 -55.421 -76.4766 -106.676 -149.501 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -2.83444272674208e-19 -1.5779212819378738e-19 -4.18909909255542e-20 6.22905447002958e-20 1.557344527427412e-19 2.3964557003055e-19 3.1508886337234197e-19 3.8295546341194796e-19 4.43980769224374e-19 4.987880275202459e-19 5.47897945705614e-19 5.91760735414632e-19 6.307593168628259e-19 6.6523174931997e-19 6.954728332867199e-19 7.21745325731052e-19 7.4428314444153e-19 7.632945723805739e-19 7.789686663909959e-19 7.91475257196e-19 8.00971358105718e-19 8.075995628405759e-19 8.11488045531294e-19 8.1276017377869e-19 8.113855062267179e-19 8.0692825083092995e-19 7.9881322617972e-19 7.8635950720363805e-19 7.68749983819344e-19 7.44997715220294e-19 7.139251015804979e-19 6.74090183929356e-19 6.23740181029272e-19 5.607313805439539e-19 4.824073736142299e-19 3.8547088072732797e-19 2.6579309269742995e-19 1.181610074104902e-19 -6.409091058392159e-20 -2.8952132864697e-19 -5.69311036419024e-19 -9.18205826768766e-19 -1.3561015291372078e-18 -1.91114037610056e-18 -2.6246056529870998e-18 -3.5579696728901396e-18 -4.8042868547123995e-18 -6.505638222356999e-18 -8.8794231232914e-18 -1.225290215677644e-17 -1.70913794608584e-17 -2.3952700895963398e-17 ] } }