{ "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 9.331908 9.284609 9.23469 9.181847 9.125713 9.065851 9.001733 8.932704 8.857951 8.776437 8.686816 8.587298 8.475419 8.34767 8.198791 8.020379 7.797745 7.50148 ] "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 9.331908e-10 9.284609e-10 9.234690000000001e-10 9.181847e-10 9.125713e-10 9.065851000000001e-10 9.001733e-10 8.932704e-10 8.857951000000001e-10 8.776437e-10 8.686816e-10 8.587298000000001e-10 8.475419e-10 8.347670000000001e-10 8.198791e-10 8.020379e-10 7.797745e-10 7.50148e-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 0.503729 0.50342 0.502849 0.501956 0.500665 0.499201 0.497605 0.495326 0.492159 0.488598 0.483587 0.476556 0.466668 0.45261 0.432185 0.400664 0.351273 0.261529 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.0636326068674567e-20 4.8967644496834563e-20 5.477425300593792e-20 5.906776591435776e-20 6.249113670002113e-20 6.526434421296384e-20 6.771567444278784e-20 6.977126704727424e-20 7.150161779773824e-20 7.29855537839232e-20 7.434307803472705e-20 7.550337434351041e-20 7.651258539695232e-20 7.739890950357889e-20 7.814888837977536e-20 7.877565987383232e-20 7.929027900443328e-20 7.970235883130304e-20 8.004554506347841e-20 8.030221375813056e-20 8.047813275109441e-20 8.059348946779201e-20 8.069010071802624e-20 8.072134316213185e-20 8.070628270189633e-20 8.065677544431361e-20 8.056529115926593e-20 8.042221678702848e-20 8.021537578528321e-20 7.998081712799809e-20 7.972510973931841e-20 7.935997368743808e-20 7.885256435163073e-20 7.828202925696384e-20 7.747917855228096e-20 7.635268817019648e-20 7.476845592754944e-20 7.25161160340288e-20 6.92436702860448e-20 6.419344935962113e-20 5.628013881182785e-20 4.1901564946120326e-20 ] } }