{ "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" [ 12.7942 11.936944 11.405651 11.019638 10.716279 10.466345 10.253807 10.068917 9.905303 9.75857 9.625557 9.503918 9.391858 9.28798 9.191168 9.100523 9.015306 8.934903 8.8588 8.786559 8.717808 8.652224 8.58953 8.52948 8.468772 8.406212 8.341684 8.27506 8.206198 8.134943 8.061124 7.984548 7.905001 7.822244 7.736007 7.645985 7.551828 7.45314 7.349462 7.240262 7.12492 7.002702 6.872737 6.733976 6.58514 6.424652 6.250531 6.060244 5.85048 5.616791 5.353009 5.050221 4.694857 4.26474 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.2794200000000001e-09 1.1936944e-09 1.1405651e-09 1.1019638000000002e-09 1.0716279000000001e-09 1.0466345000000001e-09 1.0253807e-09 1.0068917000000002e-09 9.905303e-10 9.75857e-10 9.625557000000001e-10 9.503918e-10 9.391858e-10 9.287979999999999e-10 9.191167999999999e-10 9.100523000000001e-10 9.015306000000001e-10 8.934903000000001e-10 8.8588e-10 8.786559000000001e-10 8.717808e-10 8.652224000000001e-10 8.58953e-10 8.52948e-10 8.468772e-10 8.406212e-10 8.341684000000001e-10 8.27506e-10 8.206198e-10 8.134943e-10 8.061124e-10 7.984548e-10 7.905001e-10 7.822244000000001e-10 7.736007e-10 7.645985e-10 7.551828e-10 7.45314e-10 7.349462000000001e-10 7.240262000000001e-10 7.124920000000001e-10 7.002702000000001e-10 6.872737e-10 6.733976e-10 6.585140000000001e-10 6.424652000000001e-10 6.250531e-10 6.060244e-10 5.85048e-10 5.616791e-10 5.353009000000001e-10 5.050221e-10 4.694857e-10 4.26474e-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" [ 0.00407982 0.00642594 0.00847781 0.0103842 0.012232 0.0139609 0.0155843 0.0171101 0.0185432 0.0198865 0.0211415 0.0223088 0.0233885 0.0243801 0.0252908 0.026123 0.0268639 0.0275121 0.0280658 0.0285233 0.0288827 0.029142 0.0292991 0.029352 0.0292929 0.0291216 0.0287761 0.0282098 0.0273637 0.0261615 0.0245047 0.0222649 0.0192732 0.015305 0.0100591 0.00312629 -0.00605653 -0.0181898 -0.034443 -0.056438 -0.0865431 -0.128256 -0.18715 -0.272058 -0.397541 -0.588578 -0.890334 -1.38885 -2.26087 -3.90054 -7.29228 -15.2805 -37.9317 -123.344 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.536592274925879e-22 1.029549091948596e-21 1.358294908949154e-21 1.6637322602782799e-21 1.9597824587087997e-21 2.2367827769610598e-21 2.49688013172462e-21 2.7413402425403398e-21 2.9709481759588795e-21 3.1861685632041e-21 3.3872417307710997e-21 3.57426380925792e-21 3.747250820430899e-21 3.9061226554583394e-21 4.05203288151672e-21 4.1853660209981996e-21 4.304071287811259e-21 4.40792437722714e-21 4.496636897451719e-21 4.56993647845722e-21 4.62751870668318e-21 4.6690631468028e-21 4.69423334172294e-21 4.7027088561168e-21 4.69323999220986e-21 4.6657947064694396e-21 4.61043950376474e-21 4.5197082409813196e-21 4.38414807597858e-21 4.1915344010390995e-21 3.92608577631798e-21 3.56723025383466e-21 3.0879070702408797e-21 2.4521313383369997e-21 1.6116454979069399e-21 5.00886878910786e-22 -9.70363084912002e-22 -2.9143272537133197e-21 -5.5183769804862e-21 -9.0423644869692e-21 -1.3865733265392538e-20 -2.05488766370304e-20 -2.998473570531e-20 -4.3588497069277203e-20 -6.36930901256994e-20 -9.43005918886452e-20 -1.4264723312557557e-19 -2.2251830181309e-19 -3.62231308651158e-19 -6.24935404798236e-19 -1.168352062458552e-18 -2.4482060055837e-18 -6.07732834278978e-18 -1.9761887474409598e-17 ] } }