{ "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" [ 7.76633 7.245957 6.92345 6.689132 6.504986 6.35327 6.224255 6.112023 6.012705 5.923635 5.842893 5.769055 5.701033 5.637976 5.57921 5.524186 5.472457 5.423651 5.377454 5.333603 5.291869 5.252059 5.214001 5.17755 5.152735 5.126618 5.099055 5.069876 5.038881 5.005828 4.970424 4.932309 4.891033 4.846024 4.796539 4.741588 4.679813 4.609275 4.527069 4.428557 4.305627 4.14204 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.766330000000001e-10 7.245957e-10 6.923450000000001e-10 6.689132e-10 6.504985999999999e-10 6.35327e-10 6.224255e-10 6.112023e-10 6.012705000000001e-10 5.923635e-10 5.842893e-10 5.769055e-10 5.701033e-10 5.637976e-10 5.57921e-10 5.524186e-10 5.472457e-10 5.423651e-10 5.377454e-10 5.333603e-10 5.291869000000001e-10 5.252059e-10 5.214001e-10 5.17755e-10 5.152735e-10 5.126618e-10 5.099055e-10 5.069876e-10 5.038881e-10 5.005828e-10 4.970424e-10 4.932309e-10 4.891033e-10 4.846024e-10 4.796539e-10 4.741588000000001e-10 4.679813000000001e-10 4.6092750000000006e-10 4.5270690000000003e-10 4.428557e-10 4.3056270000000004e-10 4.14204e-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" [ 0.000726985 0.193259 0.627486 1.06847 1.45456 1.78139 2.05639 2.28816 2.48414 2.6504 2.79174 2.912 3.01424 3.10095 3.17415 3.23552 3.28644 3.32809 3.36144 3.38734 3.40651 3.41958 3.42707 3.42948 3.42834 3.42462 3.41783 3.40731 3.39226 3.37165 3.34415 3.30801 3.26088 3.19954 3.1197 3.01637 2.88395 2.71002 2.4529 1.98658 0.961778 -1.62575 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1647583706722881e-22 3.096350515591872e-20 1.0053433990793088e-19 1.7118776540261762e-19 2.330462025550848e-19 2.8541014105269124e-19 3.294699981246912e-19 3.6660364566497283e-19 3.980031030794112e-19 4.24640891576832e-19 4.472860559352192e-19 4.665538319769601e-19 4.829344857480192e-19 4.96826959226976e-19 5.085548920912321e-19 5.183874500130817e-19 5.265457333661952e-19 5.332187989918272e-19 5.385620580221953e-19 5.427116954700672e-19 5.457830680521409e-19 5.478771128955264e-19 5.490771431845057e-19 5.494632677501184e-19 5.492806196153472e-19 5.486846099124097e-19 5.475967319868865e-19 5.459112421818048e-19 5.434999663675008e-19 5.40197880352032e-19 5.35791894644832e-19 5.300016283372608e-19 5.224505699234304e-19 5.126228185314432e-19 4.998310403909761e-19 4.832757493682497e-19 4.62059726555616e-19 4.341930685900416e-19 3.9299790331603202e-19 3.182852031348864e-19 1.5409382259997826e-19 -2.6047386412656e-19 ] } }