{ "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" [ 8.98503 8.383 8.009886 7.738798 7.525756 7.350234 7.200974 7.07113 6.956228 6.85318 6.759769 6.674344 6.595647 6.522696 6.454708 6.39105 6.331204 6.274739 6.221293 6.17056 6.122278 6.07622 6.032191 5.99002 5.961311 5.931095 5.899207 5.86545 5.829592 5.791352 5.750392 5.706296 5.658543 5.606472 5.549222 5.485648 5.41418 5.332572 5.237467 5.123497 4.981277 4.79202 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.985030000000001e-10 8.383e-10 8.009886e-10 7.738798000000001e-10 7.525756e-10 7.350234000000001e-10 7.200974e-10 7.071130000000001e-10 6.956228000000001e-10 6.853180000000001e-10 6.759769e-10 6.674344e-10 6.595647e-10 6.522696e-10 6.454708e-10 6.39105e-10 6.331204e-10 6.274739e-10 6.221293000000001e-10 6.17056e-10 6.122278e-10 6.07622e-10 6.032191e-10 5.99002e-10 5.961311e-10 5.931095e-10 5.899207e-10 5.865450000000001e-10 5.829592e-10 5.791352e-10 5.750392e-10 5.706296e-10 5.658543e-10 5.606472000000001e-10 5.549222000000001e-10 5.485648000000001e-10 5.414180000000001e-10 5.332572e-10 5.237467e-10 5.123497000000001e-10 4.981277e-10 4.79202e-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" [ 1.02564 1.30337 1.41147 1.49668 1.61086 1.71697 1.80793 1.89062 1.96708 2.03639 2.09754 2.15144 2.20992 2.26891 2.32264 2.36783 2.40363 2.43157 2.45307 2.46923 2.48086 2.48858 2.49284 2.49415 2.49356 2.49168 2.48835 2.48331 2.47628 2.46681 2.4542 2.43738 2.41444 2.38195 2.33504 2.26913 2.17247 2.02469 1.80381 1.47886 0.992635 0.176547 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6432564293573122e-19 2.088228942252096e-19 2.261424234960576e-19 2.3979457048189443e-19 2.580882231381888e-19 2.7508891926149763e-19 2.896623178042944e-19 3.0291071628168962e-19 3.151609587243264e-19 3.2626564488309123e-19 3.360629549192832e-19 3.4469868690539522e-19 3.540682157838336e-19 3.6351945566993283e-19 3.721279506534912e-19 3.7936818680288646e-19 3.8510397910535044e-19 3.895804605838656e-19 3.930251403185856e-19 3.9561425773779845e-19 3.974775891477888e-19 3.987144694990464e-19 3.9939699673950724e-19 3.99606881876832e-19 3.9951235345620483e-19 3.9921114425149444e-19 3.9867761943676804e-19 3.978701224198848e-19 3.967437922554624e-19 3.9522653099556484e-19 3.9320618627673603e-19 3.9051132520055044e-19 3.868359320324352e-19 3.81630460191456e-19 3.741146496632832e-19 3.6355470355559044e-19 3.4806806433893765e-19 3.243910982367552e-19 2.890022210365248e-19 2.3693949174362884e-19 1.590376589987808e-19 2.8285947587237766e-20 ] } }