{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 6.07464 5.667617 5.41536 5.232082 5.088048 4.96938 4.868467 4.780682 4.702998 4.633329 4.570175 4.512421 4.459215 4.409894 4.363928 4.32089 4.280429 4.242254 4.20612 4.171821 4.139178 4.108039 4.078271 4.04976 4.03035 4.009922 3.988363 3.96554 3.941297 3.915443 3.887751 3.857939 3.825654 3.790449 3.751743 3.708762 3.660443 3.605269 3.54097 3.463916 3.367764 3.23981 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.07464e-10 5.667617e-10 5.41536e-10 5.232082e-10 5.088048e-10 4.96938e-10 4.868467e-10 4.780682e-10 4.702998000000001e-10 4.633329e-10 4.570175e-10 4.512421e-10 4.4592150000000006e-10 4.4098940000000006e-10 4.363928e-10 4.3208900000000005e-10 4.280429e-10 4.242254e-10 4.20612e-10 4.1718209999999995e-10 4.1391780000000003e-10 4.1080389999999997e-10 4.0782710000000003e-10 4.04976e-10 4.0303500000000005e-10 4.0099220000000006e-10 3.988363e-10 3.9655399999999997e-10 3.941297e-10 3.915443e-10 3.887751e-10 3.857939e-10 3.8256540000000004e-10 3.7904490000000003e-10 3.751743e-10 3.7087620000000005e-10 3.660443e-10 3.605269e-10 3.54097e-10 3.463916e-10 3.3677640000000004e-10 3.23981e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.368156 0.747901 1.16311 1.58629 1.99157 2.34742 2.61911 2.79859 2.90408 2.9558 2.97981 3.00533 3.04686 3.09486 3.14413 3.1889 3.22305 3.24914 3.2719 3.28929 3.30237 3.31132 3.31659 3.31832 3.31747 3.31468 3.30951 3.30145 3.28976 3.27349 3.2514 3.2222 3.18295 3.13076 3.06102 2.96685 2.83755 2.65572 2.39326 1.98924 1.32327 0.0831522 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.898509360072448e-20 1.198269496872941e-19 1.8635076494186883e-19 2.541516751808832e-19 3.1908468926866564e-19 3.7609814431983365e-19 4.1962768093034883e-19 4.483835469204672e-19 4.652849080932864e-19 4.73571365576064e-19 4.774181916426049e-19 4.815069463788864e-19 4.881607858850688e-19 4.958512336649089e-19 5.037451578755904e-19 5.10918102606912e-19 5.16389535766944e-19 5.205696145706113e-19 5.24216168559552e-19 5.270023537031232e-19 5.290980007231296e-19 5.305319487987456e-19 5.313762958779073e-19 5.3165347243330565e-19 5.315172874205376e-19 5.310702801433345e-19 5.302419548303809e-19 5.28950600474016e-19 5.270776560043008e-19 5.244709146422592e-19 5.20931706486912e-19 5.16253350754176e-19 5.099648075175361e-19 5.016030477335808e-19 4.904294679801217e-19 4.75341770742048e-19 4.54625627035104e-19 4.2549324953909766e-19 3.8344252194958083e-19 3.187113821160192e-19 2.120112257006016e-19 1.3322451080808576e-20 ] } }