{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 5.35886 4.999796 4.777262 4.61558 4.488517 4.383832 4.294809 4.217368 4.148837 4.087378 4.031665 3.980716 3.93378 3.89027 3.84972 3.811753 3.77606 3.742383 3.710507 3.680248 3.651452 3.623982 3.597722 3.57257 3.555447 3.537426 3.518408 3.498274 3.476887 3.454081 3.429651 3.403352 3.374871 3.343814 3.309669 3.271753 3.229128 3.180456 3.123733 3.055759 2.970936 2.85806 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.358860000000001e-10 4.999796e-10 4.777262000000001e-10 4.61558e-10 4.488517e-10 4.3838320000000003e-10 4.2948090000000003e-10 4.217368e-10 4.1488370000000006e-10 4.0873780000000005e-10 4.0316650000000004e-10 3.9807160000000005e-10 3.93378e-10 3.89027e-10 3.8497200000000003e-10 3.811753e-10 3.77606e-10 3.742383e-10 3.7105070000000004e-10 3.680248e-10 3.651452e-10 3.623982e-10 3.597722e-10 3.57257e-10 3.555447e-10 3.537426e-10 3.518408e-10 3.498274e-10 3.476887e-10 3.454081e-10 3.429651e-10 3.403352e-10 3.3748710000000005e-10 3.343814e-10 3.309669e-10 3.271753e-10 3.2291280000000004e-10 3.180456e-10 3.123733e-10 3.0557590000000003e-10 2.970936e-10 2.8580600000000004e-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 7.86896e-05 0.919828 2.8868 4.29494 5.17032 5.71171 6.08103 6.35262 6.55904 6.71965 6.8477 6.95206 7.03841 7.11041 7.17042 7.22008 7.26049 7.29249 7.31668 7.33353 7.34342 7.34666 7.3451 7.34004 7.33082 7.31665 7.29678 7.27046 7.23675 7.1938 7.13737 7.05846 6.93945 6.74782 6.42503 5.86601 4.28997 -6.69756 -9.15809 -24.2453 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 1.260746384588064e-23 1.473726928898952e-19 4.6251635070312e-19 6.88125251243196e-19 8.28376589430288e-19 9.15116830218414e-19 9.742884176653019e-19 1.0178019328681079e-18 1.050874062947136e-18 1.07660662186581e-18 1.0971224936641798e-18 1.113842809016604e-18 1.127677604251194e-18 1.139213276015994e-18 1.148827937996628e-18 1.1567843471610719e-18 1.1632587429390658e-18 1.1683857081678659e-18 1.172261373445512e-18 1.1749610410738019e-18 1.176545593764828e-18 1.1770646989942439e-18 1.17681475943934e-18 1.1760040580625359e-18 1.174526851205988e-18 1.1722565669156099e-18 1.1690730419438519e-18 1.164856113043164e-18 1.15945517560995e-18 1.15257382696692e-18 1.143532744221258e-18 1.130889968402364e-18 1.1118224642811298e-18 1.0811199534437879e-18 1.0294032938749019e-18 9.39838415681034e-19 6.87328969456098e-19 -1.073067413681304e-18 -1.4672877810069058e-18 -3.8845253144320194e-18 ] } }