{ "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" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "a" { "source-value" [ 8.30541 7.748917 7.404025 7.153442 6.956515 6.794268 6.656298 6.536276 6.430064 6.334811 6.248466 6.169502 6.096758 6.029325 5.966479 5.907636 5.852317 5.800123 5.75072 5.703824 5.659194 5.61662 5.575922 5.53694 5.510402 5.482472 5.452996 5.421792 5.388645 5.353298 5.315436 5.274676 5.230534 5.182401 5.129481 5.070716 5.004653 4.929218 4.841306 4.735956 4.604492 4.42955 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.30541e-10 7.748917e-10 7.404025e-10 7.153442e-10 6.956514999999999e-10 6.794268e-10 6.656297999999999e-10 6.536276e-10 6.430064e-10 6.334811e-10 6.248466e-10 6.169502e-10 6.096758e-10 6.029325e-10 5.966479e-10 5.907636e-10 5.852317000000001e-10 5.800123000000001e-10 5.750720000000001e-10 5.703824e-10 5.659194000000001e-10 5.61662e-10 5.575922e-10 5.53694e-10 5.510402000000001e-10 5.482472e-10 5.452995999999999e-10 5.421792e-10 5.388645e-10 5.353298e-10 5.315436e-10 5.274676000000001e-10 5.230534e-10 5.182401e-10 5.129481e-10 5.070716e-10 5.004653000000001e-10 4.929217999999999e-10 4.841306e-10 4.735956e-10 4.604492e-10 4.42955e-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 0 0 0 0.00329491 0.330534 0.935548 1.52935 1.96743 2.21022 2.28313 2.32008 2.35184 2.37905 2.40225 2.42188 2.43831 2.45186 2.46279 2.47134 2.47771 2.48207 2.48459 2.4854 2.48502 2.48375 2.48143 2.47782 2.47264 2.46552 2.45598 2.44339 2.42691 2.40538 2.37716 2.33987 2.28993 2.2217 2.12572 1.98488 1.76463 1.38257 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 5.279027769640128e-22 5.295738471795072e-20 1.4989131332361985e-19 2.4502888150204803e-19 3.1521703490605443e-19 3.5411628108245763e-19 3.657977508247104e-19 3.717177934385664e-19 3.7680630638622725e-19 3.81165828971424e-19 3.8488287873168003e-19 3.880279514383104e-19 3.9066032762628483e-19 3.9283127694746883e-19 3.945824559940032e-19 3.9595231700478724e-19 3.969729035122368e-19 3.9767145251890567e-19 3.980752010273472e-19 3.98204977333632e-19 3.9814409462204165e-19 3.9794061819120004e-19 3.9756891321517444e-19 3.9699052745506563e-19 3.9616059996549125e-19 3.9501985021148163e-19 3.934913737152384e-19 3.914742333496512e-19 3.888338462785728e-19 3.853843600139904e-19 3.808630175900928e-19 3.748885009711296e-19 3.668872309268544e-19 3.55955579843136e-19 3.405778886366976e-19 3.180128331093504e-19 2.827248930362304e-19 2.2151213306194563e-19 ] } }