{ "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" [ "Si" "Si" ] } "a" { "source-value" [ 4.75446 4.435894 4.238459 4.095012 3.98228 3.889402 3.81042 3.741713 3.680912 3.626384 3.576955 3.531752 3.49011 3.451507 3.415531 3.381846 3.350179 3.3203 3.292019 3.265174 3.239625 3.215253 3.191955 3.16964 3.154448 3.13846 3.121586 3.103723 3.084748 3.064513 3.042839 3.019506 2.994237 2.966683 2.936388 2.902748 2.86493 2.821747 2.771421 2.711113 2.635856 2.53571 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.75446e-10 4.4358940000000003e-10 4.238459e-10 4.095012e-10 3.98228e-10 3.889402e-10 3.8104200000000003e-10 3.741713e-10 3.6809120000000004e-10 3.626384e-10 3.576955e-10 3.5317520000000004e-10 3.4901100000000003e-10 3.451507e-10 3.4155310000000003e-10 3.381846e-10 3.350179e-10 3.3203e-10 3.292019e-10 3.265174e-10 3.239625e-10 3.2152530000000003e-10 3.191955e-10 3.16964e-10 3.154448e-10 3.1384599999999997e-10 3.1215860000000006e-10 3.103723e-10 3.084748e-10 3.064513e-10 3.042839e-10 3.019506e-10 2.9942370000000003e-10 2.9666830000000005e-10 2.936388e-10 2.902748e-10 2.8649300000000004e-10 2.8217469999999997e-10 2.7714210000000003e-10 2.711113e-10 2.635856e-10 2.53571e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2.09208e-09 0.0160534 0.289993 0.970491 1.8464 2.66568 3.26494 3.59556 3.69117 3.65404 3.54912 3.38954 3.19204 2.97555 2.75966 2.56292 2.40071 2.28204 2.20421 2.1435 2.0511 1.67839 -0.230684 -4.14204 -8.77738 -12.771 -15.9021 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.35188169245872e-28 2.5720382376255598e-21 4.6462000862356196e-20 1.5548980037072938e-19 2.9582589370176e-19 4.27089020972112e-19 5.23101057941196e-19 5.760722218145039e-19 5.91390632612178e-19 5.85441750770136e-19 5.686317135262079e-19 5.43064178800836e-19 5.11421190279336e-19 4.7673566832987e-19 4.421462769784439e-19 4.10625053881128e-19 3.84636146701014e-19 3.6562311658533597e-19 3.531533758429139e-19 3.4342656149789996e-19 3.2862244939974e-19 2.68907724073926e-19 -3.6959651463765596e-20 -6.636279705093359e-19 -1.406291314373892e-18 -2.0461397792814e-18 -2.54779730515314e-18 ] } }