{ "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 0 0 0.0141508 0.800957 2.01653 2.99383 3.55629 3.76289 3.89914 4.01875 4.12368 4.21549 4.29549 4.36476 4.42425 4.47473 4.51689 4.55134 4.5786 4.59913 4.61336 4.62165 4.62435 4.62305 4.61878 4.61088 4.59852 4.58062 4.55582 4.5223 4.47763 4.41853 4.34039 4.23667 4.09768 3.90859 3.64553 3.26769 2.6993 1.78271 0.127608 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 2.2672080925616642e-21 1.2832745796661058e-19 3.230837221141824e-19 4.796644432649664e-19 5.697804694784833e-19 6.028814384642112e-19 6.247110949226113e-19 6.43874729484e-19 6.606863687660545e-19 6.753959523216193e-19 6.882133652880192e-19 6.993116427403009e-19 7.0884299145744e-19 7.169307790392385e-19 7.236855556725312e-19 7.292050541311872e-19 7.33572587599488e-19 7.368618562019904e-19 7.391417535333889e-19 7.40469957952032e-19 7.40902545639648e-19 7.40694262678944e-19 7.400101332618624e-19 7.387444137314304e-19 7.367641234281216e-19 7.338962272768896e-19 7.2992282925730565e-19 7.245523332243841e-19 7.173954102592705e-19 7.079265464303424e-19 6.954071383154113e-19 6.787893624044736e-19 6.565207095519745e-19 6.262251518292672e-19 5.840782936425024e-19 5.235416522021952e-19 4.3247553525254404e-19 2.856216283666368e-19 2.044505542270464e-20 ] } }