{ "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.44604 5.081135 4.854981 4.690668 4.561538 4.455149 4.364679 4.285977 4.216332 4.153873 4.097254 4.045476 3.997776 3.953558 3.912349 3.873764 3.83749 3.803265 3.770871 3.74012 3.710855 3.682938 3.656251 3.63069 3.604849 3.578219 3.550752 3.522392 3.49308 3.46275 3.431327 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.44604e-10 5.081135e-10 4.854981e-10 4.690668e-10 4.561538e-10 4.4551489999999995e-10 4.364679e-10 4.285977e-10 4.2163320000000006e-10 4.153873e-10 4.097254000000001e-10 4.045476e-10 3.997776e-10 3.953558e-10 3.912349e-10 3.873764e-10 3.83749e-10 3.8032650000000004e-10 3.7708710000000005e-10 3.74012e-10 3.710855e-10 3.682938e-10 3.6562510000000005e-10 3.63069e-10 3.6048490000000004e-10 3.578219e-10 3.5507520000000005e-10 3.522392e-10 3.49308e-10 3.4627500000000003e-10 3.431327e-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" [ 1.60106 2.3923 3.09248 3.73325 4.32857 4.8855 5.41046 5.90449 6.36858 6.80476 7.21262 7.5922 7.94379 8.26764 8.5628 8.82891 9.06562 9.27306 9.44999 9.59586 9.71004 9.79238 9.84312 9.86019 9.84093 9.77651 9.65504 9.46142 9.17641 8.77529 8.22626 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.5651809216320395e-19 3.8328871615182e-19 4.95469919711232e-19 5.9813259188805e-19 6.93513371263338e-19 7.827433945407e-19 8.668512591191639e-19 9.46003591368666e-19 1.020359006775972e-18 1.090242747197784e-18 1.1555891233921079e-18 1.21640454406548e-18 1.2727354723402858e-18 1.3246219626323759e-18 1.3719118081615197e-18 1.414547330568894e-18 1.4524724536723078e-18 1.4857080057680039e-18 1.5140553169533658e-18 1.537426267513524e-18 1.5557199203205357e-18 1.5689122427248919e-18 1.577041686965808e-18 1.5797766024800458e-18 1.576690810282962e-18 1.5663695884067338e-18 1.5469079488335358e-18 1.515886604846028e-18 1.470222968600394e-18 1.405956459457386e-18 1.317992155720884e-18 ] } }