{ "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" [ "K" "K" "K" "K" "K" "K" "K" "K" ] } "a" { "source-value" [ 14.0653 13.12287 12.538789 12.114423 11.780923 11.506157 11.272501 11.069241 10.889371 10.728059 10.58183 10.448105 10.324912 10.210712 10.104282 10.004631 9.910946 9.822555 9.73889 9.659472 9.583889 9.51179 9.442866 9.37685 9.310111 9.241336 9.170397 9.097154 9.021451 8.943117 8.861964 8.77778 8.690331 8.599353 8.504548 8.405582 8.302071 8.193579 8.0796 7.959552 7.832751 7.698391 7.555514 7.402967 7.239345 7.062913 6.871494 6.662303 6.431699 6.174794 5.884805 5.551937 5.161268 4.68842 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.4065300000000001e-09 1.312287e-09 1.2538789e-09 1.2114423e-09 1.1780923e-09 1.1506157e-09 1.1272501e-09 1.1069241e-09 1.0889371e-09 1.0728059e-09 1.058183e-09 1.0448105e-09 1.0324912e-09 1.0210712e-09 1.0104282e-09 1.0004631e-09 9.910946e-10 9.822554999999999e-10 9.73889e-10 9.659471999999999e-10 9.583888999999999e-10 9.51179e-10 9.442866e-10 9.37685e-10 9.310110999999999e-10 9.241336000000001e-10 9.170397e-10 9.097154e-10 9.021451000000001e-10 8.943117000000001e-10 8.861964000000001e-10 8.77778e-10 8.690331000000001e-10 8.599353000000001e-10 8.504548e-10 8.405582000000001e-10 8.302071e-10 8.193579e-10 8.0796e-10 7.959552e-10 7.832751e-10 7.698391e-10 7.555514e-10 7.402967000000001e-10 7.239345000000001e-10 7.062913e-10 6.871494000000001e-10 6.662303e-10 6.431699e-10 6.174794e-10 5.884805000000001e-10 5.551937e-10 5.161268e-10 4.68842e-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" [ 0.253632 0.305632 0.341874 0.368672 0.390039 0.407348 0.422648 0.435478 0.446278 0.45554 0.464013 0.471255 0.477554 0.483086 0.487767 0.491679 0.494891 0.497463 0.499605 0.501207 0.502305 0.503025 0.503628 0.503823 0.503614 0.50294 0.501722 0.499867 0.498148 0.495709 0.492347 0.488664 0.483807 0.477495 0.469427 0.45939 0.446803 0.431381 0.412072 0.38852 0.359858 0.324628 0.280227 0.224864 0.154437 0.0639488 -0.0550888 -0.213276 -0.42515 -0.726417 -1.16764 -1.84636 -2.96904 -5.04312 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.0636326403468803e-20 4.89676449002688e-20 5.47742534572116e-20 5.90677664010048e-20 6.24911372148726e-20 6.52643447506632e-20 6.77156750006832e-20 6.977126762210519e-20 7.15016183868252e-20 7.2985554385236e-20 7.43430786472242e-20 7.550337496556699e-20 7.651258602732359e-20 7.73989101412524e-20 7.81488890236278e-20 7.877566052284859e-20 7.92902796576894e-20 7.970235948795419e-20 8.004554572295699e-20 8.030221441972378e-20 8.047813341413699e-20 8.0593490131785e-20 8.069010138281519e-20 8.07213438271782e-20 8.068785833552759e-20 8.057987163039601e-20 8.03847265163748e-20 8.00875227507678e-20 7.98121085873832e-20 7.94213377063506e-20 7.888268592199979e-20 7.829260426769759e-20 7.75144270765638e-20 7.6503133185183e-20 7.521049707687179e-20 7.360239238932599e-20 7.15857326601102e-20 6.91148558551554e-20 6.60212129925648e-20 6.224776658416799e-20 5.76556079157972e-20 5.20111396342152e-20 4.48973151615918e-20 3.60271846627776e-20 2.4743535282505796e-20 1.024572731323392e-20 -8.826198815509919e-21 -3.4170582379298395e-20 -6.811653959450999e-20 -1.163848343940378e-19 -1.87076552492376e-19 -2.9581948499522397e-19 -4.75692651341136e-19 -8.079969026458079e-19 ] } }