{ "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" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" ] } "a" { "source-value" [ 13.0089 12.13726 11.597052 11.204562 10.896113 10.641985 10.425881 10.237888 10.071529 9.922333 9.787089 9.663408 9.549469 9.443847 9.345411 9.253245 9.166598 9.084846 9.007466 8.934013 8.864108 8.797424 8.733677 8.67262 8.610893 8.547284 8.481673 8.41393 8.343913 8.271462 8.196404 8.118543 8.037661 7.953516 7.865832 7.774298 7.678561 7.578217 7.472799 7.361767 7.244489 7.12022 6.988074 6.846984 6.69565 6.532469 6.355426 6.161946 5.948662 5.711051 5.442842 5.134973 4.773645 4.33631 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.30089e-09 1.213726e-09 1.1597052e-09 1.1204562e-09 1.0896113e-09 1.0641985e-09 1.0425881e-09 1.0237888e-09 1.0071529e-09 9.922333e-10 9.787089e-10 9.663408e-10 9.549469000000001e-10 9.443847e-10 9.345411e-10 9.253245000000001e-10 9.166598000000001e-10 9.084846000000001e-10 9.007466000000001e-10 8.934013e-10 8.864108e-10 8.797423999999999e-10 8.733677e-10 8.672620000000001e-10 8.610893000000002e-10 8.547284e-10 8.481673000000002e-10 8.413930000000001e-10 8.343913000000001e-10 8.271462e-10 8.196404e-10 8.118543000000001e-10 8.037661e-10 7.953515999999999e-10 7.865832000000001e-10 7.774298e-10 7.678561000000001e-10 7.578217000000001e-10 7.472799e-10 7.361767e-10 7.244489e-10 7.12022e-10 6.988074e-10 6.846984e-10 6.69565e-10 6.532469e-10 6.355426e-10 6.161946e-10 5.948662e-10 5.711051000000001e-10 5.442842e-10 5.134973e-10 4.773645e-10 4.3363100000000004e-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" [ 0.0670058 0.100437 0.12982 0.156749 0.181921 0.2055 0.227745 0.248654 0.268295 0.286707 0.30393 0.319999 0.334869 0.348535 0.361037 0.372355 0.382424 0.391223 0.39873 0.404921 0.409769 0.413247 0.415389 0.416112 0.415296 0.412566 0.407418 0.39925 0.387215 0.370263 0.347042 0.315786 0.274173 0.21915 0.146563 0.0508031 -0.0757548 -0.243979 -0.469153 -0.773165 -1.18855 -1.76419 -2.57611 -3.74525 -5.47124 -8.09728 -12.2418 -19.0865 -31.05 -53.5341 -100.017 -209.435 -519.575 -1688.62 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.073551271024772e-20 1.6091781458905798e-20 2.0799457062587996e-20 2.51139585202866e-20 2.91469575433914e-20 3.29247298287e-20 3.6488771751033e-20 3.9838762875063596e-20 4.2985598001903e-20 4.5935525620423796e-20 4.869495443716199e-20 5.126949207033659e-20 5.3651928725094603e-20 5.584146331311899e-20 5.78445045409458e-20 5.965784805530699e-20 6.127107970808159e-20 6.268083492833819e-20 6.3883588927482e-20 6.487549648159139e-20 6.56522317137546e-20 6.620946874705979e-20 6.65526549820626e-20 6.666849235270079e-20 6.65377547393664e-20 6.61003605182844e-20 6.52755599871012e-20 6.396690211245e-20 6.2038682533431e-20 5.93226727034742e-20 5.56022583416628e-20 5.05944950544324e-20 4.3927357427368195e-20 3.511170093411e-20 2.34819814008942e-20 8.139553975476539e-21 -1.2137257047334319e-20 -3.9089745298668596e-20 -7.51665974371002e-20 -1.2387468972266098e-19 -1.9042670383407e-19 -2.8265439959364595e-19 -4.12738324861374e-19 -6.000552038488499e-19 -8.765892887006159e-19 -1.2973272814955519e-18 -1.96135259181012e-18 -3.0579944324841e-18 -4.97475844857e-18 -8.57710841422194e-18 -1.6024490040277797e-17 -3.3555186334178997e-17 -8.3245092461055e-17 -2.70546750770508e-16 ] } }