{ "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 6.42054 5.99034 5.723719 5.530005 5.377769 5.252344 5.145686 5.052901 4.970794 4.897159 4.830408 4.769366 4.71313 4.661001 4.612417 4.566929 4.524164 4.483815 4.445624 4.409371 4.374869 4.341957 4.310495 4.28036 4.259845 4.238254 4.215467 4.191345 4.165721 4.138395 4.109126 4.077616 4.043493 4.006283 3.965373 3.919945 3.868874 3.810559 3.742599 3.661157 3.559529 3.42429 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.42054e-10 5.99034e-10 5.723719e-10 5.530005e-10 5.377769e-10 5.252344e-10 5.145686000000001e-10 5.052901000000001e-10 4.970794e-10 4.897159000000001e-10 4.830408000000001e-10 4.769366e-10 4.71313e-10 4.661001e-10 4.612417e-10 4.566929e-10 4.524164e-10 4.483815e-10 4.4456239999999995e-10 4.4093710000000004e-10 4.3748690000000005e-10 4.341957e-10 4.3104950000000007e-10 4.28036e-10 4.2598450000000005e-10 4.2382540000000006e-10 4.2154670000000004e-10 4.191345e-10 4.165721e-10 4.1383950000000004e-10 4.109126e-10 4.077616e-10 4.043493e-10 4.006283e-10 3.9653730000000003e-10 3.919945e-10 3.868874e-10 3.810559e-10 3.742599e-10 3.6611570000000005e-10 3.559529e-10 3.42429e-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" [ 0.713769 1.13949 1.47937 1.76048 2.05595 2.27231 2.46016 2.62398 2.76713 2.89223 3.00137 3.09624 3.17825 3.24858 3.30823 3.35806 3.39881 3.58453 3.62097 3.64997 3.67194 3.68725 3.69621 3.69914 3.69772 3.69304 3.68435 3.67069 3.65083 3.62317 3.58558 3.5352 3.46811 3.37878 3.25925 3.09763 2.9137 2.60202 2.14579 1.4438 0.279385 -1.98951 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1435840044517953e-19 1.8256642376353919e-19 2.370212027512896e-19 2.820599897385984e-19 3.2939950235337605e-19 3.6406419572100483e-19 3.9416108354273285e-19 4.204079409446784e-19 4.433430992714304e-19 4.633863287976385e-19 4.808724844370496e-19 4.960723340385792e-19 5.0921178450575995e-19 5.204798926798465e-19 5.300368762229184e-19 5.380205223243648e-19 5.445493920541248e-19 5.743050162556224e-19 5.801433478618176e-19 5.847896600621376e-19 5.883096420980353e-19 5.907625745044801e-19 5.921981247567169e-19 5.926675625066112e-19 5.9244005342645765e-19 5.916902347679232e-19 5.90297943284448e-19 5.881093700204353e-19 5.849274472515265e-19 5.8049582671839365e-19 5.744732448008065e-19 5.664014789852161e-19 5.556524760362688e-19 5.413402322826624e-19 5.2218941513424e-19 4.962950365888705e-19 4.66826202002496e-19 4.1688956108540163e-19 3.437934571146432e-19 2.31322260511104e-19 4.4762411520220804e-20 -3.187546408847808e-19 ] } }