{ "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" [ 8.14409 7.598405 7.260212 7.014496 6.821393 6.662298 6.527008 6.409316 6.305168 6.211765 6.127096 6.049667 5.978335 5.912212 5.850587 5.792887 5.738642 5.687462 5.639018 5.593033 5.54927 5.507523 5.467615 5.42939 5.403368 5.37598 5.347076 5.316479 5.283976 5.249315 5.212189 5.17222 5.128936 5.081738 5.029846 4.972222 4.907442 4.833472 4.747268 4.643964 4.515054 4.34351 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.144090000000001e-10 7.598405e-10 7.260212e-10 7.014496000000001e-10 6.821393e-10 6.662298e-10 6.527008000000001e-10 6.409316e-10 6.305168e-10 6.211765e-10 6.127096e-10 6.049667e-10 5.978335000000001e-10 5.912212e-10 5.850587e-10 5.792887000000001e-10 5.738642e-10 5.687462000000001e-10 5.639018e-10 5.593033e-10 5.54927e-10 5.507523e-10 5.467615e-10 5.42939e-10 5.403368e-10 5.375980000000001e-10 5.347076000000001e-10 5.316479000000001e-10 5.283976e-10 5.249315e-10 5.212189e-10 5.17222e-10 5.128936000000001e-10 5.081738e-10 5.029846e-10 4.972222e-10 4.907442e-10 4.833472e-10 4.747268e-10 4.6439640000000006e-10 4.515054e-10 4.34351e-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" [ 0.0249017 1.89481 2.38006 2.71214 2.98951 3.22591 3.42997 3.60756 3.76289 3.89914 4.01876 4.12368 4.21549 4.29549 4.36477 4.42425 4.47473 4.51689 4.55134 4.5786 4.59914 4.61336 4.62166 4.62435 4.62305 4.61878 4.61088 4.59852 4.58063 4.55583 4.52231 4.47764 4.41854 4.3404 4.23668 3.67794 2.00689 -0.143687 -2.24778 -4.15573 -5.90651 -8.73347 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.98969218868778e-21 3.03582030786954e-19 3.8132765195180394e-19 4.34532733613676e-19 4.78972306910934e-19 5.168477625386939e-19 5.49541778932098e-19 5.779948337753039e-19 6.02881443431226e-19 6.24711100069476e-19 6.43876336965384e-19 6.6068637420931195e-19 6.75395957886066e-19 6.88213370958066e-19 6.99313250678418e-19 7.088429972974499e-19 7.16930784945882e-19 7.236855616348259e-19 7.292050601389559e-19 7.3357259364324e-19 7.36863464449476e-19 7.39141759623024e-19 7.40471566229244e-19 7.409025517437899e-19 7.4069426878137e-19 7.400101393586519e-19 7.3874441981779195e-19 7.367641294981679e-19 7.33897835499942e-19 7.29924437447622e-19 7.24553941370454e-19 7.17397018346376e-19 7.079281544394359e-19 6.9540874622136e-19 6.78790970173512e-19 5.892709529253959e-19 3.2153922650082595e-19 -2.30211954009558e-20 -3.60134059437252e-19 -6.65821350321282e-19 -9.463272310487339e-19 -1.399256156773998e-18 ] } }