{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.18637 7.637853 7.297904 7.050913 6.856808 6.696887 6.560894 6.442592 6.337903 6.244016 6.158907 6.081076 6.009375 5.942908 5.880963 5.822963 5.768437 5.716991 5.668296 5.622073 5.578082 5.536118 5.496003 5.45758 5.431422 5.403893 5.374839 5.344082 5.311411 5.27657 5.239251 5.199074 5.155566 5.108122 5.05596 4.998038 4.932921 4.858567 4.771915 4.668074 4.538495 4.36606 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.186370000000001e-10 7.637853e-10 7.297904e-10 7.050913000000001e-10 6.856808e-10 6.696887000000001e-10 6.560894000000001e-10 6.442592000000001e-10 6.337903e-10 6.244016e-10 6.158907e-10 6.081076e-10 6.009375e-10 5.942908000000001e-10 5.880963e-10 5.822963e-10 5.768437e-10 5.716991e-10 5.668296e-10 5.622073e-10 5.578082e-10 5.536118000000001e-10 5.496003e-10 5.457580000000001e-10 5.431422e-10 5.403893e-10 5.374839e-10 5.344082000000001e-10 5.311411e-10 5.276570000000001e-10 5.239251000000001e-10 5.199074e-10 5.155566000000001e-10 5.108122e-10 5.05596e-10 4.998038e-10 4.932921e-10 4.858567e-10 4.771915e-10 4.668074e-10 4.5384950000000004e-10 4.36606e-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" [ 1.22324 1.52544 1.7205 1.90843 2.06398 2.17869 2.28209 2.38007 2.47028 2.5484 2.61212 2.66146 2.69733 2.72097 2.73424 2.73981 2.74116 2.74211 2.74448 2.7483 2.75278 2.75696 2.75992 2.761 2.76044 2.75855 2.75499 2.7493 2.74091 2.72908 2.71284 2.69094 2.66179 2.62345 2.57369 2.50975 2.42765 2.31905 2.16276 1.87558 1.14135 -0.388484 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9598465296273922e-19 2.444024304433152e-19 2.7565448760864e-19 3.057641928433344e-19 3.306860501798784e-19 3.4906461819707523e-19 3.6563112445614726e-19 3.813292509867456e-19 3.957824862829824e-19 4.08298690044672e-19 4.1850775947240963e-19 4.264128989194368e-19 4.3215990645824645e-19 4.359474519898176e-19 4.380735403656192e-19 4.389659527434048e-19 4.391822465872128e-19 4.393344533661888e-19 4.397141692253184e-19 4.40326200694464e-19 4.410439758205824e-19 4.417136856480768e-19 4.421879299278336e-19 4.423609650028801e-19 4.422712431121152e-19 4.419684317307841e-19 4.413980568537792e-19 4.4048641835654405e-19 4.391421921716928e-19 4.372468172292865e-19 4.346448823971072e-19 4.311361155975552e-19 4.2646577074792323e-19 4.2032302558377603e-19 4.123505947186752e-19 4.0210627740528e-19 3.88952407348512e-19 3.71552769246624e-19 3.4651235084014083e-19 3.005010426440064e-19 1.8286442861500802e-19 -6.224199823548672e-20 ] } }