{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.61444 8.037241 7.679516 7.419609 7.215354 7.047071 6.903967 6.779479 6.669316 6.570519 6.48096 6.399059 6.323608 6.253666 6.188482 6.127449 6.070072 6.015936 5.964694 5.916054 5.869763 5.825605 5.783392 5.74296 5.715435 5.686466 5.655893 5.623528 5.589148 5.552486 5.513215 5.470938 5.425155 5.375231 5.320342 5.25939 5.190869 5.112628 5.021445 4.912175 4.775821 4.59437 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.61444e-10 8.037241000000001e-10 7.679516e-10 7.419609000000001e-10 7.215354e-10 7.047071e-10 6.903967e-10 6.779479000000001e-10 6.669316000000001e-10 6.570519e-10 6.48096e-10 6.399059000000001e-10 6.323608e-10 6.253666e-10 6.188481999999999e-10 6.127449000000001e-10 6.070072e-10 6.015936e-10 5.964694e-10 5.916054e-10 5.869763e-10 5.825605000000001e-10 5.783392e-10 5.74296e-10 5.715435000000001e-10 5.686466e-10 5.655893e-10 5.623528000000001e-10 5.589148e-10 5.552486e-10 5.513215e-10 5.470938000000001e-10 5.425155e-10 5.375231000000001e-10 5.320342000000001e-10 5.25939e-10 5.190869000000001e-10 5.112628e-10 5.021445e-10 4.912175e-10 4.775821e-10 4.59437e-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" [ 1.84683 2.2689 2.57931 2.82895 3.03795 3.21684 3.37204 3.50781 3.62719 3.73244 3.82529 3.90712 3.97905 4.042 4.09673 4.14392 4.18411 4.21781 4.24544 4.26737 4.28395 4.29548 4.30221 4.30441 4.30335 4.29985 4.29337 4.28321 4.26846 4.24797 4.22018 4.18306 4.13376 4.06836 3.98119 3.86386 3.70343 3.47896 3.15438 2.66221 1.86066 0.394536 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.9589478485920643e-19 3.6351785349331203e-19 4.132510179795648e-19 4.53247755141216e-19 4.86733246515936e-19 5.153945840854273e-19 5.402603652402432e-19 5.620131172208448e-19 5.811399017199552e-19 5.980028106538752e-19 6.128790205780032e-19 6.259896318660096e-19 6.37514088299424e-19 6.4759979012736e-19 6.563685027729984e-19 6.639291742465536e-19 6.703683220855489e-19 6.757676572976449e-19 6.801944713009153e-19 6.837080446303296e-19 6.86364453467616e-19 6.882117631113985e-19 6.892900279771968e-19 6.896425068337728e-19 6.894726761119681e-19 6.889119142946881e-19 6.878737038444097e-19 6.862458923976769e-19 6.838826818819968e-19 6.805998219859776e-19 6.761473731567745e-19 6.702000935403648e-19 6.623013627998208e-19 6.518231276997889e-19 6.378569540962752e-19 6.190586158044288e-19 5.933548962769344e-19 5.573908376698368e-19 5.053873889119105e-19 4.265330621659968e-19 2.981105951257728e-19 6.321163552639489e-20 ] } }