{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.14643 7.600588 7.262298 7.016511 6.823353 6.664212 6.528883 6.411158 6.30698 6.21355 6.128857 6.051405 5.980053 5.91391 5.852268 5.794551 5.740291 5.689096 5.640638 5.59464 5.550864 5.509105 5.469186 5.43095 5.40492 5.377525 5.348613 5.318007 5.285494 5.250824 5.213687 5.173706 5.13041 5.083198 5.031292 4.973652 4.908853 4.834862 4.748633 4.6453 4.516353 4.34476 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.146430000000001e-10 7.600588e-10 7.262298e-10 7.016511000000001e-10 6.823353e-10 6.664212e-10 6.528883000000001e-10 6.411158000000001e-10 6.306980000000001e-10 6.21355e-10 6.128857e-10 6.051405e-10 5.980053e-10 5.91391e-10 5.852268e-10 5.794551000000001e-10 5.740291000000001e-10 5.689096e-10 5.640638e-10 5.59464e-10 5.550864e-10 5.509105e-10 5.469186e-10 5.430950000000001e-10 5.40492e-10 5.377525000000001e-10 5.348613000000001e-10 5.318007e-10 5.285494e-10 5.250824e-10 5.213687e-10 5.173706e-10 5.13041e-10 5.083198000000001e-10 5.031292e-10 4.973652e-10 4.908853e-10 4.834862000000001e-10 4.748633e-10 4.6453e-10 4.5163529999999995e-10 4.34476e-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" [ 0.00521661 0.350408 0.950886 1.51459 1.99199 2.38896 2.71931 2.99567 3.22811 3.42451 3.59094 3.73219 3.85204 3.9535 4.03904 4.11066 4.17002 4.21853 4.25734 4.28746 4.30974 4.32491 4.33361 4.3364 4.33508 4.33077 4.3229 4.31071 4.29328 4.26943 4.2376 4.1958 4.14133 4.07085 3.98093 3.86796 3.72341 3.51835 3.16909 2.46232 0.867543 -3.04261 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.357930581831488e-22 5.614155053412864e-20 1.523487318246029e-19 2.426640688097472e-19 3.191519806867392e-19 3.827535860026368e-19 4.356814906707648e-19 4.799592437631937e-19 5.172002371370689e-19 5.4866698596958085e-19 5.753320114695552e-19 5.979627562383553e-19 6.171648430386433e-19 6.334205270332801e-19 6.471255458476033e-19 6.586003348057728e-19 6.681108552268417e-19 6.758830140143425e-19 6.821010614796672e-19 6.869268174615169e-19 6.904964669726592e-19 6.929269689064128e-19 6.943208625665089e-19 6.94767869843712e-19 6.945563825297664e-19 6.938658444062017e-19 6.92604931405632e-19 6.906518781048769e-19 6.878592842548224e-19 6.840380930142144e-19 6.78938364830208e-19 6.722412665552641e-19 6.635142105017664e-19 6.522220696783681e-19 6.378152975041344e-19 6.197155082189569e-19 5.965560451652928e-19 5.63701811379168e-19 5.077441907211072e-19 3.9450715369282564e-19 1.3899571121386943e-19 -4.874798608212288e-19 ] } }