{ "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" [ "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" ] } "a" { "source-value" [ 12.7162 11.864164 11.336107 10.952444 10.650933 10.402521 10.191277 10.007513 9.844895 9.699055 9.566853 9.445954 9.334577 9.231331 9.135109 9.045016 8.960318 8.880405 8.804764 8.732964 8.664631 8.599447 8.537134 8.47745 8.436819 8.394056 8.348926 8.301151 8.250401 8.196281 8.138313 8.075905 8.008322 7.934627 7.853602 7.763629 7.662482 7.546986 7.412387 7.251088 7.049809 6.78196 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.2716200000000002e-09 1.1864164e-09 1.1336107e-09 1.0952444e-09 1.0650933000000001e-09 1.0402521e-09 1.0191277e-09 1.0007512999999999e-09 9.844895e-10 9.699055e-10 9.566853e-10 9.445954e-10 9.334576999999999e-10 9.231331000000002e-10 9.135109000000001e-10 9.045016e-10 8.960317999999999e-10 8.880405e-10 8.804764e-10 8.732964000000001e-10 8.664631e-10 8.599447e-10 8.537134e-10 8.47745e-10 8.436819e-10 8.394056000000001e-10 8.348926000000001e-10 8.301151000000001e-10 8.250401e-10 8.196281000000001e-10 8.138313000000001e-10 8.075905000000001e-10 8.008322e-10 7.934627e-10 7.853602e-10 7.763629e-10 7.662482e-10 7.546986000000001e-10 7.412387e-10 7.251088e-10 7.049809e-10 6.78196e-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" [ 0.00550879 0.00818859 0.010542 0.0126931 0.0146916 0.0165655 0.0183279 0.0199856 0.0215437 0.0230053 0.0243724 0.0256452 0.0268243 0.0279094 0.0288995 0.0297931 0.0305885 0.0312842 0.0318788 0.0323698 0.0327561 0.0330347 0.0332033 0.0332598 0.0332311 0.0331347 0.0329512 0.0326554 0.0322126 0.0315763 0.0306817 0.0294379 0.0277129 0.0253111 0.0219311 0.0170938 0.00999688 -0.00078848 -0.0180064 -0.047506 -0.103759 -0.231855 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.826054546896834e-22 1.3119567455316675e-21 1.68901459364736e-21 2.0336588065476483e-21 2.353853804214528e-21 2.6540856811862404e-21 2.9364532888360324e-21 3.2020461072660482e-21 3.451681246552896e-21 3.685855381449024e-21 3.904888947278592e-21 4.108813987574016e-21 4.297726632932544e-21 4.4715788180555525e-21 4.630210325280961e-21 4.773380828115648e-21 4.900817956534081e-21 5.012281384043136e-21 5.107546805915904e-21 5.186213677997184e-21 5.248105760858689e-21 5.292742401514176e-21 5.319755099340864e-21 5.3288073972483844e-21 5.324209150346688e-21 5.308764167722177e-21 5.2793642267304965e-21 5.2319718422872325e-21 5.161027461518208e-21 5.059080963136705e-21 4.915750242639936e-21 4.716471514544832e-21 4.440096047456832e-21 4.055285266673088e-21 3.513749568842688e-21 2.738728672063104e-21 1.6016767416943105e-21 -1.2632842219683842e-22 -2.884943310477312e-21 -7.61130025477248e-21 -1.662402439975872e-20 -3.7147266041558405e-20 ] } }