{ "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" [ "U" "U" "U" "U" "U" "U" "U" "U" ] } "a" { "source-value" [ 8.75179 8.165388 7.80196 7.53791 7.330399 7.159433 7.014047 6.887574 6.775655 6.675283 6.584296 6.501089 6.424436 6.353378 6.287155 6.225149 6.166857 6.111858 6.0598 6.010384 5.963355 5.918493 5.875607 5.83453 5.793003 5.75021 5.706069 5.660495 5.613391 5.564649 5.514154 5.461772 5.407359 5.35075 5.29176 5.23018 5.165773 5.098266 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.75179e-10 8.165388000000001e-10 7.80196e-10 7.53791e-10 7.330399000000001e-10 7.159433e-10 7.014047e-10 6.887574e-10 6.775655000000001e-10 6.675283e-10 6.584296e-10 6.501089000000001e-10 6.424436e-10 6.353378e-10 6.287155000000001e-10 6.225149000000001e-10 6.166857e-10 6.111858e-10 6.0598e-10 6.010384e-10 5.963355e-10 5.918493e-10 5.875607e-10 5.83453e-10 5.793002999999999e-10 5.750210000000001e-10 5.706069e-10 5.660495000000001e-10 5.613391000000001e-10 5.564649000000001e-10 5.514154e-10 5.461772e-10 5.407359e-10 5.35075e-10 5.29176e-10 5.23018e-10 5.165773e-10 5.098266e-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" [ 1.23289 1.06687 0.938648 0.966709 1.19957 1.35668 1.18182 1.11588 1.2605 1.47269 1.66582 1.83188 1.9803 2.11862 2.24958 2.37287 2.48116 2.56816 2.63335 2.67999 2.7114 2.7319 2.74422 2.74861 2.74315 2.72381 2.6869 2.6298 2.54899 2.44086 2.30231 2.1369 1.95167 1.72359 1.41458 0.981983 0.388877 -0.43573 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.97530755029226e-19 1.7093141855155798e-19 1.503879893150832e-19 1.548838571677506e-19 1.9219230248473798e-19 2.17364099581512e-19 1.89348438959388e-19 1.78783686234792e-19 2.0195436471569999e-19 2.35950950712546e-19 2.66893788044988e-19 2.93499533229192e-19 3.1727903883101995e-19 3.3944034603250798e-19 3.6042245123137196e-19 3.8017568695195794e-19 3.97525657721544e-19 4.11464594437344e-19 4.2190918391439e-19 4.2938173573536597e-19 4.344141725427599e-19 4.376986346424599e-19 4.396725162555479e-19 4.40375871797874e-19 4.3950108335571e-19 4.36402473745554e-19 4.3048883978946e-19 4.2134041120931996e-19 4.0839322182996596e-19 3.9106888588652394e-19 3.6887072862245394e-19 3.4236912491945993e-19 3.12692007127878e-19 2.7614956245960597e-19 2.2664070229237195e-19 1.573310217585222e-19 6.23049642900018e-20 -6.981164247328199e-20 ] } }