{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 8.52205 7.951042 7.597154 7.340035 7.137971 6.971493 6.829924 6.706771 6.59779 6.500052 6.411454 6.330432 6.25579 6.186598 6.122113 6.061735 6.004973 5.951418 5.900726 5.852607 5.806813 5.763129 5.721368 5.68137 5.65414 5.625482 5.595237 5.563219 5.529208 5.492939 5.45409 5.412266 5.366974 5.317585 5.263285 5.202987 5.135201 5.057799 4.967594 4.859496 4.724605 4.5451 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.522050000000001e-10 7.951042000000001e-10 7.597154e-10 7.340035e-10 7.137971000000001e-10 6.971493e-10 6.829924000000001e-10 6.706771e-10 6.59779e-10 6.500052e-10 6.411454e-10 6.330432e-10 6.25579e-10 6.186598000000001e-10 6.122113e-10 6.061735e-10 6.004973e-10 5.951418e-10 5.900726e-10 5.852607e-10 5.806813e-10 5.763129e-10 5.721368000000001e-10 5.68137e-10 5.65414e-10 5.625482e-10 5.595237e-10 5.563219e-10 5.529208e-10 5.492939e-10 5.45409e-10 5.412266e-10 5.366974e-10 5.317585000000001e-10 5.263285e-10 5.202987000000001e-10 5.135201e-10 5.057799000000001e-10 4.967594000000001e-10 4.859496e-10 4.724605000000001e-10 4.5450999999999996e-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" [ 0.389403 0.561056 0.696381 0.809853 0.90725 0.992131 1.06747 1.13425 1.19361 1.24642 1.29336 1.33499 1.37176 1.40415 1.433 1.458 1.4794 1.49741 1.5122 1.52394 1.53303 1.53944 1.54321 1.54445 1.54385 1.54186 1.53817 1.53235 1.52387 1.51203 1.49588 1.47417 1.44516 1.40669 1.35496 1.28466 1.18746 1.05069 0.849923 0.539699 0.0231838 -0.951637 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.238923826693825e-20 8.989108061595649e-20 1.115725357369325e-19 1.2975275428847425e-19 1.4535747392208e-19 1.589569092970925e-19 1.710275477405376e-19 1.8172688321424e-19 1.9123740363530883e-19 1.9969849836975362e-19 2.0721911542778882e-19 2.138889767001792e-19 2.1978018013486085e-19 2.2496963020963203e-19 2.2959190976064e-19 2.3359735131264e-19 2.37026009281152e-19 2.399115293752128e-19 2.42281148597376e-19 2.4416210395019524e-19 2.456184824985024e-19 2.466454777124352e-19 2.472494982984768e-19 2.4744816819945604e-19 2.47352037602208e-19 2.4703320445466883e-19 2.464420012815936e-19 2.45509534488288e-19 2.4415088871384963e-19 2.422539115948224e-19 2.3966639635223044e-19 2.3618807090847363e-19 2.315401565315328e-19 2.253765830713152e-19 2.170885234119168e-19 2.058252217676928e-19 1.902520650135168e-19 1.683390953708352e-19 1.3617267600801985e-19 8.646931200691393e-20 3.714454234130304e-21 -1.5246905528882495e-19 ] } }