{ "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.45328 5.08789 4.861436 4.696905 4.567604 4.461074 4.370483 4.291677 4.22194 4.159397 4.102703 4.050856 4.003093 3.958817 3.917553 3.878917 3.842595 3.808324 3.775887 3.745095 3.715791 3.687838 3.661115 3.63552 3.609645 3.58298 3.555476 3.527078 3.497727 3.467357 3.435893 3.403254 3.369348 3.334075 3.297318 3.258948 3.218815 3.176752 3.132561 3.086017 3.036854 2.984762 2.929367 2.870222 2.806784 2.738379 2.664164 2.583058 2.49365 2.394045 2.281613 2.152556 2.001089 1.81776 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.453280000000001e-10 5.087889999999999e-10 4.861436e-10 4.696905e-10 4.5676040000000006e-10 4.461074e-10 4.3704830000000003e-10 4.291677e-10 4.22194e-10 4.159397e-10 4.102703e-10 4.050856e-10 4.0030929999999997e-10 3.958817e-10 3.917553e-10 3.878917e-10 3.842595e-10 3.808324e-10 3.7758870000000004e-10 3.7450950000000003e-10 3.715791e-10 3.687838e-10 3.661115e-10 3.63552e-10 3.609645e-10 3.5829800000000003e-10 3.5554760000000004e-10 3.527078e-10 3.497727e-10 3.467357e-10 3.4358930000000003e-10 3.4032540000000004e-10 3.369348e-10 3.334075e-10 3.297318e-10 3.2589480000000003e-10 3.2188150000000004e-10 3.176752e-10 3.132561e-10 3.086017e-10 3.036854e-10 2.984762e-10 2.929367e-10 2.8702220000000004e-10 2.806784e-10 2.738379e-10 2.664164e-10 2.583058e-10 2.4936500000000005e-10 2.394045e-10 2.2816130000000002e-10 2.1525560000000003e-10 2.001089e-10 1.81776e-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" [ 0.0215532 1.00447 1.87782 2.16522 2.21412 2.25741 2.35203 2.4901 2.65028 2.81177 2.959 3.08348 3.18324 3.26075 3.32052 3.36726 3.40504 3.43668 3.46344 3.48556 3.50287 3.51515 3.52238 3.52472 3.52226 3.5145 3.5008 3.48041 3.45225 3.41478 3.36595 3.30323 3.22392 3.12576 3.00764 2.87081 2.72025 2.56772 2.52184 2.81605 3.79429 6.00732 10.4162 18.7655 34.225 62.9494 120.99 249.939 557.195 1307.38 3178.74 8342.27 23555.7 88644.9 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.45320334279288e-21 1.6093383635539799e-19 3.00859932685788e-19 3.46906489146948e-19 3.5474113288720797e-19 3.61676955535794e-19 3.76836750846702e-19 3.9895800363234e-19 4.2462166895575197e-19 4.50495219418218e-19 4.7408406600059995e-19 4.94027960740632e-19 5.100112748414159e-19 5.2242974593155e-19 5.32005955672968e-19 5.3949452926028395e-19 5.45547552583536e-19 5.506168394535119e-19 5.549042641260959e-19 5.584482788405039e-19 5.61221646593958e-19 5.6318911950051e-19 5.643474932068919e-19 5.6472240253924795e-19 5.64328267087284e-19 5.630849780192999e-19 5.608899960307199e-19 5.576231578739939e-19 5.5311142847265e-19 5.471080726250519e-19 5.3928464412123e-19 5.29235792272782e-19 5.16528929388528e-19 5.008019635491839e-19 4.818770531483759e-19 4.59954470265354e-19 4.358320988638499e-19 4.11394098665448e-19 4.0404331226865597e-19 4.5118095101757e-19 6.07912278061986e-19 9.62478773696088e-19 1.6688592255070798e-18 3.0065645625326995e-18 5.483449529865e-18 1.0085605780431959e-17 1.9384735094765997e-17 4.0044642572532594e-17 8.927248095816301e-17 2.09465368775892e-16 5.09290295356116e-16 1.336579006851918e-15 3.77403921375138e-15 1.4202478750326658e-14 ] } }