{ "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" [ "Si" "Si" ] } "a" { "source-value" [ 4.68891 4.374736 4.180023 4.038554 3.927376 3.835779 3.757886 3.690126 3.630163 3.576387 3.52764 3.48306 3.441992 3.403921 3.368441 3.335221 3.30399 3.274523 3.246632 3.220156 3.19496 3.170924 3.147948 3.12594 3.110958 3.09519 3.078548 3.060932 3.042219 3.022263 3.000888 2.977876 2.952955 2.925781 2.895904 2.862728 2.825431 2.782843 2.733212 2.673735 2.599516 2.50075 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.68891e-10 4.3747360000000005e-10 4.1800230000000007e-10 4.0385540000000007e-10 3.9273760000000004e-10 3.8357790000000004e-10 3.757886e-10 3.690126e-10 3.630163e-10 3.576387e-10 3.52764e-10 3.4830600000000003e-10 3.441992e-10 3.403921e-10 3.368441e-10 3.3352210000000005e-10 3.30399e-10 3.274523e-10 3.2466320000000003e-10 3.220156e-10 3.19496e-10 3.170924e-10 3.147948e-10 3.12594e-10 3.1109580000000005e-10 3.09519e-10 3.078548e-10 3.060932e-10 3.042219e-10 3.022263e-10 3.000888e-10 2.977876e-10 2.952955e-10 2.9257810000000005e-10 2.895904e-10 2.8627280000000005e-10 2.825431e-10 2.782843e-10 2.733212e-10 2.673735e-10 2.599516e-10 2.50075e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 0 0 0.00142426 0.259283 0.880253 1.73756 2.33246 2.71901 3.03548 3.28926 3.48829 3.64042 3.75289 3.83219 3.88618 3.93163 3.96412 3.98162 3.9868 3.98463 3.97812 3.96722 3.95184 3.93164 3.90588 3.87308 3.83074 3.77485 3.69933 3.59536 3.45051 3.24768 2.96267 2.53922 1.87304 0.74302 -1.42757 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.2819160927408396e-22 4.1541716419342197e-20 1.4103207886084017e-19 2.78387803217304e-19 3.73701291173964e-19 4.356334289612339e-19 4.86337512897432e-19 5.26997551515084e-19 5.58885673061586e-19 5.83259586194628e-19 6.012792667972259e-19 6.13984527504846e-19 6.226346791518119e-19 6.29916571953342e-19 6.35122043837208e-19 6.379258529467079e-19 6.3875578044312e-19 6.38408108113542e-19 6.37365091124808e-19 6.35618718593748e-19 6.331545709306559e-19 6.299181741299759e-19 6.257909671207919e-19 6.205358277612719e-19 6.13752211892916e-19 6.047976466854899e-19 5.92698008745522e-19 5.760401782818239e-19 5.528326497383339e-19 5.20335701070912e-19 4.74672064825278e-19 4.0682789525854797e-19 3.00094092254736e-19 1.19044928259468e-19 -2.2872192973993797e-19 ] } }