{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.18109 7.632927 7.293197 7.046365 6.852386 6.692568 6.556663 6.438437 6.333816 6.239988 6.154935 6.077154 6.005499 5.939075 5.87717 5.819208 5.764716 5.713304 5.66464 5.618446 5.574484 5.532548 5.492458 5.45406 5.415241 5.375238 5.333977 5.291374 5.247342 5.201779 5.154576 5.10561 5.054746 5.001828 4.946685 4.889121 4.828914 4.765809 4.699514 4.629687 4.555933 4.477783 4.394678 4.305949 4.210778 4.108156 3.996817 3.875141 3.74101 3.591581 3.422909 3.229295 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.18109e-10 7.632927e-10 7.293197e-10 7.046365e-10 6.852386000000001e-10 6.692568e-10 6.556663e-10 6.438437000000001e-10 6.333816e-10 6.239988e-10 6.154935e-10 6.077154e-10 6.005499e-10 5.939075e-10 5.87717e-10 5.819208e-10 5.764716e-10 5.713304000000001e-10 5.664640000000001e-10 5.618446e-10 5.574484e-10 5.532548e-10 5.492458e-10 5.45406e-10 5.415241e-10 5.375238000000001e-10 5.333977e-10 5.291374e-10 5.247342e-10 5.201779e-10 5.154576e-10 5.105610000000001e-10 5.054746e-10 5.001828e-10 4.946685e-10 4.889121000000001e-10 4.828914e-10 4.765809e-10 4.699513999999999e-10 4.629687e-10 4.555933e-10 4.477783e-10 4.394678e-10 4.305949e-10 4.2107780000000003e-10 4.1081560000000003e-10 3.9968170000000003e-10 3.8751410000000005e-10 3.7410100000000004e-10 3.5915810000000004e-10 3.4229090000000004e-10 3.2292950000000004e-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" [ 0.627615 1.02092 1.33693 1.57202 1.73958 1.86033 1.95187 2.02498 2.086 2.13831 2.18417 2.22539 2.26329 2.2986 2.33104 2.35999 2.385 2.40592 2.4229 2.43617 2.44601 2.4527 2.4565 2.45771 2.45645 2.45247 2.44542 2.43487 2.41973 2.39808 2.3683 2.32901 2.27862 2.21684 2.14502 2.06498 1.97914 1.89073 1.80104 1.69292 1.5495 1.34323 1.03461 0.57329 -0.11389 -1.1335 -2.65412 -5.00578 -8.95087 -16.194 -30.843 -64.3418 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.00555008814791e-19 1.63569416918328e-19 2.1419980072936197e-19 2.5186537121806797e-19 2.7871144289737197e-19 2.98057725752922e-19 3.12724050660558e-19 3.2443756403173194e-19 3.3421404585239993e-19 3.42595031824854e-19 3.49942613868378e-19 3.56546785953726e-19 3.6261903539658596e-19 3.6827632109123996e-19 3.7347378209193594e-19 3.7811208344736594e-19 3.8211912720899993e-19 3.8547088072732797e-19 3.8819137665185996e-19 3.9031746504517802e-19 3.918940068530339e-19 3.9296586302118e-19 3.935746901421e-19 3.9376855351481397e-19 3.9356667925892993e-19 3.9292901295859796e-19 3.9179947843162795e-19 3.9010918208275797e-19 3.8768348665888195e-19 3.8421477424627203e-19 3.7944349223022e-19 3.7314854023523396e-19 3.65075172176508e-19 3.5517692493165595e-19 3.43670092346268e-19 3.3084627056773196e-19 3.1709318634147594e-19 3.02928342720282e-19 2.88558420489936e-19 2.7123568672312797e-19 2.482572694383e-19 2.1520917200878197e-19 1.65762796730274e-19 9.185118425058599e-20 -1.8247189684626e-20 -1.816067214639e-19 -4.2523690478320795e-19 -8.020143750944519e-19 -1.434087476797158e-18 -2.5945648410995997e-18 -4.9415933922461995e-18 -1.0308692854950121e-17 ] } }