{ "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" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" [ 9.74 9.087383 8.682918 8.389052 8.158109 7.967838 7.806036 7.665282 7.540724 7.429018 7.327758 7.235155 7.149846 7.070765 6.997064 6.928057 6.863183 6.801973 6.744036 6.689041 6.636701 6.586773 6.539045 6.49333 6.462208 6.429454 6.394886 6.358293 6.31942 6.277967 6.233566 6.185765 6.133999 6.077551 6.015491 5.946575 5.869101 5.780636 5.677539 5.553991 5.39982 5.19466 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.740000000000002e-10 9.087383000000001e-10 8.682918000000001e-10 8.389052e-10 8.158109e-10 7.967838000000001e-10 7.806036e-10 7.665282000000001e-10 7.540724e-10 7.429018e-10 7.327758e-10 7.235155e-10 7.149846000000001e-10 7.070765e-10 6.997064e-10 6.928057e-10 6.863183e-10 6.801973000000001e-10 6.744036000000001e-10 6.689041e-10 6.636701000000001e-10 6.586773e-10 6.539045e-10 6.493330000000001e-10 6.462208e-10 6.429454e-10 6.394886e-10 6.358292999999999e-10 6.31942e-10 6.277967e-10 6.233566e-10 6.185765e-10 6.133999e-10 6.077551e-10 6.015491e-10 5.946575e-10 5.869101e-10 5.780636000000001e-10 5.677539e-10 5.553991e-10 5.39982e-10 5.19466e-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" [ 0.42977 0.6442 0.832658 1.00538 1.16683 1.31808 1.46075 1.59486 1.72084 1.83894 1.94941 2.05247 2.14786 2.23551 2.3157 2.38829 2.45288 2.50932 2.55747 2.59718 2.62827 2.65058 2.66432 2.66896 2.66663 2.65877 2.64381 2.61966 2.58366 2.53194 2.4592 2.35797 2.21752 2.02185 1.74644 1.35236 0.773982 -0.104642 -1.50696 -3.91002 -8.48994 -18.9201 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.885674463212161e-20 1.03212217911936e-19 1.3340651807220864e-19 1.610796331019904e-19 1.8694677464480642e-19 2.111796960344064e-19 2.3403794988336e-19 2.5552474054490883e-19 2.757089616137472e-19 2.9463066750539524e-19 3.1232991263537283e-19 3.2884194488933764e-19 3.441251076751488e-19 3.5816818575646085e-19 3.7101604007865605e-19 3.826462401690432e-19 3.929946989627904e-19 4.0203738381058567e-19 4.097518642397376e-19 4.161141076009344e-19 4.2109527471500164e-19 4.2466973075600643e-19 4.2687112143298564e-19 4.2761453138503684e-19 4.2724122423239044e-19 4.2598191340844164e-19 4.235850571837249e-19 4.1971580064449286e-19 4.139479648096128e-19 4.0566150732683523e-19 3.9400727458713605e-19 3.777884406547776e-19 3.552858700156416e-19 3.2393608007644804e-19 2.7981053376299524e-19 2.1667195749050881e-19 1.2400558653200256e-19 -1.676549659537536e-20 -2.4144160804807683e-19 -6.2645426308604165e-19 -1.3602383379994754e-18 -3.0313341883198083e-18 ] } }