{ "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" [ "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 6.10317 5.694235 5.440794 5.256655 5.111944 4.992719 4.891332 4.803134 4.725086 4.65509 4.591639 4.533614 4.480158 4.430605 4.384424 4.341184 4.300533 4.262178 4.225875 4.191414 4.158618 4.127332 4.097425 4.06878 4.049279 4.028755 4.007094 3.984164 3.959807 3.933832 3.906009 3.876056 3.843619 3.808249 3.769361 3.726178 3.677631 3.622199 3.557597 3.480181 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.103170000000001e-10 5.694235000000001e-10 5.440794000000001e-10 5.256655e-10 5.111944e-10 4.992719000000001e-10 4.891332e-10 4.803134e-10 4.725086e-10 4.6550900000000007e-10 4.591639e-10 4.533614e-10 4.480158e-10 4.430605e-10 4.3844240000000003e-10 4.3411840000000005e-10 4.300533e-10 4.2621779999999997e-10 4.2258750000000007e-10 4.191414e-10 4.158618e-10 4.127332e-10 4.0974250000000005e-10 4.0687800000000003e-10 4.049279e-10 4.028755e-10 4.0070940000000007e-10 3.984164e-10 3.9598070000000003e-10 3.9338320000000003e-10 3.906009e-10 3.876056e-10 3.843619e-10 3.808249e-10 3.769361e-10 3.726178e-10 3.677631e-10 3.6221990000000004e-10 3.5575970000000003e-10 3.480181e-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" [ 0.70038 1.16078 1.48684 1.78234 2.0636 2.30835 2.51707 2.70274 2.86979 3.02106 3.16121 3.28785 3.39791 3.49799 3.58674 3.66194 3.72453 3.77679 3.82048 3.85715 3.88678 3.90784 3.92044 3.92462 3.92264 3.91621 3.90436 3.88581 3.85834 3.81853 3.762 3.6835 3.57591 3.43185 3.2399 2.98208 2.62278 2.09129 1.27532 -0.00600989 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1221324616759042e-19 1.859774577892224e-19 2.382180286870272e-19 2.8556234783166723e-19 3.3062516746828803e-19 3.69838440262368e-19 4.032790706917056e-19 4.330266840100992e-19 4.597910444605633e-19 4.840271702034048e-19 5.064816755439168e-19 5.267716402697281e-19 5.444051961582529e-19 5.604397797792193e-19 5.746590972888192e-19 5.867074654772353e-19 5.967354889468224e-19 6.0510846396712325e-19 6.121083736233984e-19 6.17983555291872e-19 6.227308046193024e-19 6.261049885827073e-19 6.281237311249152e-19 6.287934409524096e-19 6.284762099814912e-19 6.274460104143168e-19 6.255474311186688e-19 6.225753934870849e-19 6.181742143097473e-19 6.117959491823424e-19 6.0273884474496e-19 5.9016175827168e-19 5.729239400084929e-19 5.49842983609248e-19 5.190892033729921e-19 4.777818857355264e-19 4.2021567975018245e-19 3.350615945312832e-19 2.043287888038656e-19 -9.628905251579713e-22 ] } }