{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.16314 8.549176 8.168665 7.892204 7.674939 7.495937 7.343718 7.211301 7.094121 6.989031 6.893767 6.806649 6.726393 6.651995 6.582659 6.51774 6.456707 6.399123 6.344618 6.292879 6.24364 6.196669 6.151767 6.10876 6.079482 6.048667 6.016147 5.981721 5.945151 5.906153 5.864382 5.819412 5.770712 5.717608 5.659223 5.594389 5.521504 5.438279 5.341288 5.225058 5.080018 4.88701 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.16314e-10 8.549175999999999e-10 8.168665000000001e-10 7.892204000000001e-10 7.674939e-10 7.495937e-10 7.343718e-10 7.211301e-10 7.094121000000001e-10 6.989031e-10 6.893767e-10 6.806649e-10 6.726393e-10 6.651995000000001e-10 6.582659e-10 6.51774e-10 6.456707e-10 6.399123e-10 6.344618e-10 6.292879000000001e-10 6.24364e-10 6.196669e-10 6.151767e-10 6.10876e-10 6.079482e-10 6.048667e-10 6.016147e-10 5.981721000000001e-10 5.945151e-10 5.906153e-10 5.864382e-10 5.819412e-10 5.770712e-10 5.717608e-10 5.659223000000001e-10 5.594388999999999e-10 5.521504e-10 5.438279e-10 5.341288e-10 5.225058e-10 5.080018000000001e-10 4.88701e-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" [ 1.34745 1.63549 1.82418 1.96201 2.07267 2.18041 2.26075 2.32311 2.37499 2.41874 2.45575 2.48706 2.51357 2.53609 2.5559 2.57514 2.59501 2.61265 2.62557 2.63447 2.64055 2.64453 2.64676 2.64747 2.64713 2.64605 2.64406 2.64099 2.6366 2.63059 2.62257 2.61203 2.59828 2.5804 2.55708 2.52645 2.48578 2.43155 2.36039 2.25533 2.08725 1.81719 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.1588528876969602e-19 2.6203438415521923e-19 2.922658548130944e-19 3.1434865517758084e-19 3.3207834166335364e-19 3.4934019257585286e-19 3.6221207954735997e-19 3.722032529546688e-19 3.8051534526337922e-19 3.8752486797937926e-19 3.9345452365296005e-19 3.9847093865268484e-19 4.0271830887442566e-19 4.0632641062446726e-19 4.09500322510272e-19 4.1258291032869124e-19 4.157664352742208e-19 4.18592674833312e-19 4.2066268702738567e-19 4.220886242198976e-19 4.2306274760534403e-19 4.237004139004224e-19 4.240576992868608e-19 4.2417145382693764e-19 4.2411697982183047e-19 4.23943944746784e-19 4.2362511159924484e-19 4.231332433766592e-19 4.22429887840128e-19 4.2146697969102724e-19 4.2018203404114564e-19 4.184933398828224e-19 4.162903470292224e-19 4.13425655231232e-19 4.0968937935152644e-19 4.0478191236201603e-19 3.9826586004522243e-19 3.8957725623062403e-19 3.781761673970113e-19 3.613436998188864e-19 3.3441431517648003e-19 2.911459333551552e-19 ] } }