{ "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" [ "N" "N" "N" "N" "N" "N" "N" "N" ] } "a" { "source-value" [ 5.92518 5.528171 5.282121 5.103352 4.962862 4.847113 4.748684 4.663058 4.587286 4.519331 4.457731 4.401398 4.349501 4.301393 4.256558 4.214579 4.175114 4.137878 4.102633 4.069177 4.037338 4.006965 3.97793 3.95012 3.931188 3.911262 3.890234 3.867973 3.844326 3.819108 3.792098 3.763019 3.731528 3.697189 3.659436 3.617513 3.570383 3.516567 3.45385 3.378692 3.284905 3.1601 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.92518e-10 5.528171000000001e-10 5.282121e-10 5.103352e-10 4.962862000000001e-10 4.847113000000001e-10 4.748684e-10 4.663058e-10 4.587286e-10 4.519331e-10 4.457731e-10 4.4013980000000003e-10 4.349501e-10 4.301393e-10 4.256558e-10 4.2145789999999996e-10 4.1751139999999997e-10 4.137878e-10 4.102633e-10 4.069177e-10 4.0373380000000003e-10 4.0069650000000004e-10 3.9779300000000006e-10 3.9501200000000003e-10 3.931188e-10 3.911262e-10 3.890234e-10 3.867973e-10 3.8443260000000004e-10 3.819108e-10 3.792098e-10 3.763019e-10 3.731528e-10 3.697189e-10 3.659436e-10 3.617513e-10 3.570383e-10 3.5165670000000004e-10 3.4538500000000004e-10 3.378692e-10 3.284905e-10 3.1601e-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" [ 0.135042 0.541263 1.02024 1.47465 1.87615 2.2234 2.52207 2.78101 3.00682 3.19847 3.36702 3.51692 3.65113 3.77228 3.88235 3.983 4.07531 4.15981 4.23643 4.30454 4.34545 4.3751 4.39733 4.41644 4.37985 4.28258 4.173 4.05419 3.92081 3.76838 3.59152 3.37804 3.10514 2.78674 2.41362 1.97502 1.45299 0.805516 -0.134444 -1.91679 -4.00611 -5.74034 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.163611352260736e-20 8.671989243040706e-20 1.634604675604992e-19 2.36264975386272e-19 3.0059236671139203e-19 3.56227949868672e-19 4.040801590021056e-19 4.455669204211009e-19 4.817456706953856e-19 5.124513856330176e-19 5.394560725766016e-19 5.634727001223936e-19 5.849755125501505e-19 6.043858823111425e-19 6.22021040376288e-19 6.381469480646401e-19 6.529366404512449e-19 6.664750328970049e-19 6.787509101655745e-19 6.896633351298433e-19 6.962178396855359e-19 7.00968293366208e-19 7.045299319942464e-19 7.075916915165952e-19 7.017293272610881e-19 6.8614495527056645e-19 6.6858830385984e-19 6.495528434281152e-19 6.281830116598848e-19 6.037610334290305e-19 5.754249377135616e-19 5.412216712127232e-19 4.974982712310912e-19 4.464849676248192e-19 3.867045535495296e-19 3.164330869612416e-19 2.327946608256192e-19 1.2905789028803328e-19 -2.1540303360683524e-20 -3.0710361249832323e-19 -6.418495782353088e-19 -9.197038543443072e-19 ] } }