{ "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" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.35872 4.066669 3.885667 3.75416 3.650811 3.565664 3.493256 3.430267 3.374527 3.324538 3.279223 3.237783 3.199606 3.164217 3.131235 3.100354 3.071322 3.04393 3.018003 2.993392 2.96997 2.947627 2.926268 2.90581 2.885128 2.863815 2.841832 2.819134 2.795674 2.771399 2.746251 2.720163 2.693063 2.664869 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.3587200000000003e-10 4.0666690000000005e-10 3.885667e-10 3.7541600000000005e-10 3.6508110000000003e-10 3.5656640000000003e-10 3.493256e-10 3.4302670000000004e-10 3.3745270000000004e-10 3.324538e-10 3.279223e-10 3.237783e-10 3.1996060000000004e-10 3.164217e-10 3.1312350000000003e-10 3.100354e-10 3.071322e-10 3.04393e-10 3.018003e-10 2.9933920000000003e-10 2.9699700000000003e-10 2.9476270000000006e-10 2.926268e-10 2.90581e-10 2.885128e-10 2.863815e-10 2.8418320000000003e-10 2.819134e-10 2.795674e-10 2.771399e-10 2.746251e-10 2.720163e-10 2.6930630000000003e-10 2.664869e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 2.63568 3.94475 5.09796 6.15405 7.13584 8.05745 8.92441 9.73945 10.5051 11.2231 11.895 12.5203 13.099 13.6324 14.1204 14.5621 14.9553 15.2991 15.5927 15.835 16.0254 16.1634 16.247 16.2751 16.2434 16.1375 15.9384 15.6214 15.1543 14.4961 13.5941 12.3796 10.763 8.62383 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.2228249107011196e-19 6.3201862769715e-19 8.167832393066638e-19 9.8598751144677e-19 1.143287611196256e-18 1.2909458119623297e-18 1.429848117423594e-18 1.5604319218011298e-18 1.68310257578334e-18 1.79813885810454e-18 1.905789106143e-18 2.00597321106702e-18 2.0986911728765998e-18 2.18415127453416e-18 2.26233749427336e-18 2.3331056361971395e-18 2.3961032214460196e-18 2.4511860541229397e-18 2.49822596009718e-18 2.5370466999389998e-18 2.56755214305036e-18 2.58966218059956e-18 2.6030563772598e-18 2.6075584936013394e-18 2.60247959367156e-18 2.5855125431174996e-18 2.55361320633456e-18 2.5028242070367596e-18 2.42798653646262e-18 2.32253127041274e-18 2.1780149380259397e-18 1.9834305858266397e-18 1.7244227111741998e-18 1.381689892158822e-18 ] } }