{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 10.1101 9.432689 9.012856 8.707825 8.468108 8.270608 8.102659 7.956557 7.827268 7.711318 7.60621 7.510089 7.421539 7.339453 7.262952 7.191324 7.123984 7.060449 7.000311 6.943226 6.888898 6.837074 6.787532 6.74008 6.692108 6.642673 6.591682 6.539034 6.484619 6.428313 6.36998 6.309469 6.246611 6.181215 6.11307 6.041933 5.96753 5.889545 5.807618 5.721327 5.630183 5.533605 5.430905 5.321255 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.01101e-09 9.432689e-10 9.012855999999999e-10 8.707825e-10 8.468108000000001e-10 8.270608e-10 8.102659e-10 7.956557e-10 7.827268000000001e-10 7.711318000000001e-10 7.60621e-10 7.510089e-10 7.421539000000001e-10 7.339453e-10 7.262952000000001e-10 7.191324e-10 7.123984e-10 7.060449000000001e-10 7.000311000000001e-10 6.943226e-10 6.888898e-10 6.837074e-10 6.787531999999999e-10 6.74008e-10 6.692108000000001e-10 6.642673000000001e-10 6.591682e-10 6.539034e-10 6.484619e-10 6.428313e-10 6.369980000000001e-10 6.309469e-10 6.246611e-10 6.181215e-10 6.11307e-10 6.041933000000001e-10 5.967530000000001e-10 5.889545e-10 5.807618e-10 5.721327e-10 5.630183e-10 5.533605e-10 5.430905e-10 5.321255e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.317364 0.366527 0.428112 0.458788 0.478678 0.49504 0.510789 0.535355 0.572096 0.60691 0.639827 0.671435 0.701983 0.731105 0.758383 0.783176 0.804827 0.822686 0.836359 0.846328 0.85323 0.857592 0.859868 0.860522 0.85997 0.858885 0.857924 0.855858 0.851718 0.845018 0.835199 0.821675 0.80383 0.780828 0.751841 0.719755 0.680107 0.62875 0.563364 0.480308 0.374481 0.23931 0.066024 -0.156036 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.0847318527277594e-20 5.87240995130118e-20 6.859110431350079e-20 7.350594135595919e-20 7.669267068098519e-20 7.931415208953599e-20 8.18374200704226e-20 8.5773327189507e-20 9.16598843604864e-20 9.723770209409398e-20 1.025115869202318e-19 1.0757574682497899e-19 1.124700760065222e-19 1.17135934800057e-19 1.215063522222822e-19 1.2547862875095839e-19 1.2894750138123178e-19 1.318088286318924e-19 1.339994847435606e-19 1.355966946299952e-19 1.36702516942782e-19 1.374013863905328e-19 1.377660417924312e-19 1.378708241442948e-19 1.37782383994098e-19 1.3760854782930899e-19 1.374545786547816e-19 1.3712356896219719e-19 1.3646026783572118e-19 1.353868094909412e-19 1.3381363225401659e-19 1.31646848574195e-19 1.28787764370822e-19 1.251024376772952e-19 1.2045820826831939e-19 1.15317464320467e-19 1.089651544019838e-19 1.0073685586275e-19 9.026086372367759e-20 7.695382547232719e-20 5.99984708076954e-20 3.8341689028254e-20 1.05782110083216e-20 -2.49997233262824e-20 ] } }