{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.2765 3.989959 3.812372 3.683346 3.581946 3.498405 3.427363 3.365563 3.310875 3.261828 3.217368 3.17671 3.139253 3.104532 3.072172 3.041874 3.013389 2.986514 2.961076 2.93693 2.913949 2.892028 2.871072 2.851 2.837336 2.822954 2.807777 2.79171 2.774642 2.756442 2.736947 2.715959 2.69323 2.668446 2.641198 2.610939 2.576923 2.538081 2.492815 2.43857 2.370879 2.2808 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2765000000000007e-10 3.989959e-10 3.812372e-10 3.683346e-10 3.581946e-10 3.498405e-10 3.427363e-10 3.365563e-10 3.3108749999999997e-10 3.261828e-10 3.2173680000000003e-10 3.17671e-10 3.139253e-10 3.104532e-10 3.0721720000000004e-10 3.041874e-10 3.0133890000000003e-10 2.9865140000000003e-10 2.961076e-10 2.9369299999999997e-10 2.913949e-10 2.892028e-10 2.871072e-10 2.8510000000000003e-10 2.837336e-10 2.8229540000000003e-10 2.8077770000000003e-10 2.7917100000000004e-10 2.7746420000000004e-10 2.756442e-10 2.736947e-10 2.715959e-10 2.69323e-10 2.668446e-10 2.641198e-10 2.6109390000000003e-10 2.576923e-10 2.538081e-10 2.492815e-10 2.43857e-10 2.370879e-10 2.2808000000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.21782 1.72816 2.11757 2.43411 2.69976 2.9269 3.12344 3.29479 3.44488 3.57669 3.6925 3.79416 3.88316 3.96075 4.02797 4.0857 4.1347 4.17564 4.20909 4.23556 4.25551 4.26932 4.27738 4.28 4.27872 4.27442 4.26629 4.25325 4.23386 4.20619 4.16762 4.11448 4.04157 3.94129 3.80225 3.60671 3.32588 2.91043 2.26973 1.22131 -0.653118 -4.52112 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.951162732342656e-19 2.768817549001728e-19 3.3927211469074562e-19 3.8998741344554884e-19 4.325492353771008e-19 4.68941075141952e-19 5.004302544471552e-19 5.278835508445632e-19 5.519306197461505e-19 5.730489097849153e-19 5.916037172304e-19 6.078914447574528e-19 6.221508166825729e-19 6.3458210508336e-19 6.453519363283776e-19 6.54601301960256e-19 6.62451967402176e-19 6.690112784877312e-19 6.743705592843072e-19 6.786115207995649e-19 6.8180786315806085e-19 6.840204690713856e-19 6.853118234277504e-19 6.857315937024e-19 6.855265150949376e-19 6.848375791479937e-19 6.835350095552832e-19 6.814457712417601e-19 6.783391507740288e-19 6.739059280642753e-19 6.677263328378497e-19 6.592123662749185e-19 6.475308965326657e-19 6.314642693792832e-19 6.0918760564368e-19 5.778586440005568e-19 5.328647179586305e-19 4.663022902474944e-19 3.636508341528384e-19 1.9567543287492479e-19 -1.0464103902236544e-19 -7.243632763831296e-19 ] } }