{ "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" [ "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "a" { "source-value" [ 9.20631 8.589453 8.20715 7.929386 7.711098 7.531253 7.378316 7.245275 7.127543 7.021958 6.926246 6.838717 6.758083 6.683335 6.613672 6.548446 6.487127 6.429271 6.374509 6.322527 6.273055 6.225863 6.18075 6.13754 6.093857 6.048841 6.002408 5.954467 5.904916 5.853644 5.800526 5.745424 5.688185 5.628636 5.566583 5.501805 5.434053 5.36304 5.288437 5.20986 5.126864 5.03892 4.945401 4.845553 4.738455 4.622973 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.206310000000001e-10 8.589453000000001e-10 8.207150000000001e-10 7.929386e-10 7.711098e-10 7.531253000000001e-10 7.378316e-10 7.245275000000001e-10 7.127543000000001e-10 7.021958e-10 6.926246000000001e-10 6.838717000000001e-10 6.758083e-10 6.683335e-10 6.613672e-10 6.548446e-10 6.487127000000001e-10 6.429271e-10 6.374509e-10 6.322527e-10 6.273055000000001e-10 6.225863000000001e-10 6.18075e-10 6.137540000000001e-10 6.093857e-10 6.048841e-10 6.002408e-10 5.954467e-10 5.904916e-10 5.853644e-10 5.800526e-10 5.745424e-10 5.688185e-10 5.628636000000001e-10 5.566583e-10 5.501805e-10 5.434052999999999e-10 5.36304e-10 5.288437e-10 5.20986e-10 5.126864e-10 5.03892e-10 4.945401000000001e-10 4.845553e-10 4.738455e-10 4.622973e-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" [ 1.31646 1.9733 2.55058 3.07967 3.57422 4.0375 4.47454 4.88535 5.27124 5.63298 5.97138 6.28709 6.57925 6.84775 7.09339 7.31576 7.51359 7.68648 7.83398 7.95561 8.05086 8.1192 8.16128 8.17549 8.15946 8.10583 8.0047 7.84422 7.60776 7.27472 6.81849 6.20439 5.38682 4.30578 2.87966 0.998248 -1.48824 -4.79339 -9.21738 -15.1904 -23.3515 -34.6611 -50.6132 -73.5834 -107.494 -159.089 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.1092014515956398e-19 3.1615751518722e-19 4.0864796791477196e-19 4.93417531443078e-19 5.726531768775479e-19 6.468788159774999e-19 7.16900343589836e-19 7.8271936189119e-19 8.445457560206159e-19 9.02502893578932e-19 9.56720550873492e-19 1.0073028693855059e-18 1.05411206192445e-18 1.0971305045473498e-18 1.136486371384926e-18 1.172113973195184e-18 1.2038098335456058e-18 1.231509865370832e-18 1.255141970722332e-18 1.2746292451216739e-18 1.289889977560524e-18 1.3008392526772798e-18 1.3075812119531519e-18 1.3098579049500659e-18 1.3072896158057638e-18 1.2986971425176218e-18 1.28249433021798e-18 1.256782599595548e-18 1.218897530907984e-18 1.165538640289248e-18 1.092442535716266e-18 9.94052868622326e-19 8.63063713556388e-19 6.898620107144521e-19 4.613723965864439e-19 1.599369620537232e-19 -2.3844233537841596e-19 -7.679857455649259e-19 -1.4767870862698919e-18 -2.43377039411136e-18 -3.7413227668851e-18 -5.5533204528737395e-18 -8.10912864119688e-18 -1.1789360413027558e-17 -1.72224375095196e-17 -2.5488867852642598e-17 ] } }