{ "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" [ 0.00558183 0.374941 1.01746 1.62063 2.13145 2.55622 2.9097 3.2054 3.45412 3.66426 3.84235 3.99349 4.12173 4.2303 4.32182 4.39845 4.46197 4.51387 4.5554 4.58763 4.61147 4.6277 4.63702 4.64 4.63859 4.63398 4.62555 4.61251 4.59386 4.56834 4.53429 4.48955 4.43127 4.35593 4.2605 4.14453 4.01092 3.86072 3.67696 3.38506 2.74937 1.04338 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.943077527280065e-22 6.007217043793728e-20 1.630150624599168e-19 2.596535496967104e-19 3.4149593584041604e-19 4.0955159216213765e-19 4.661853313541761e-19 5.13561694031232e-19 5.534110309437697e-19 5.870791704532609e-19 6.156123338930881e-19 6.3982763133985925e-19 6.603739443249985e-19 6.77768775897024e-19 6.924318963305856e-19 7.047093757757761e-19 7.148864016710976e-19 7.232016983330496e-19 7.29855537839232e-19 7.350193530880705e-19 7.388389421520576e-19 7.41439274807616e-19 7.4293250341820155e-19 7.434099520512e-19 7.431840451476672e-19 7.424454417254785e-19 7.410948068341439e-19 7.390055685206209e-19 7.360175091228289e-19 7.319287543865472e-19 7.264733429927233e-19 7.193052047912641e-19 7.099677194452415e-19 6.978969207841344e-19 6.826073492918401e-19 6.640269070204223e-19 6.426202251899135e-19 6.185555323454977e-19 5.891139347616768e-19 5.423463992005249e-19 4.404976335928896e-19 1.671679042610304e-19 ] } }