{ "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" [ 10.6422 9.929139 9.487213 9.16613 8.913797 8.705904 8.529116 8.375325 8.239232 8.11718 8.006541 7.905362 7.812151 7.725746 7.645219 7.569821 7.498938 7.432059 7.368756 7.308667 7.25148 7.196928 7.144779 7.09483 7.060825 7.025037 6.987267 6.947284 6.904811 6.859518 6.811003 6.758774 6.702213 6.640537 6.572727 6.497427 6.412776 6.316117 6.20347 6.068477 5.900025 5.67586 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.06422e-09 9.929139e-10 9.487213e-10 9.166130000000001e-10 8.913797000000001e-10 8.705904e-10 8.529116e-10 8.375325000000001e-10 8.239232e-10 8.117179999999999e-10 8.006541000000001e-10 7.905362000000001e-10 7.812151e-10 7.725746000000001e-10 7.645219e-10 7.569821000000001e-10 7.498938000000001e-10 7.432059e-10 7.368756000000001e-10 7.308667e-10 7.25148e-10 7.196928e-10 7.144779000000001e-10 7.09483e-10 7.060825000000001e-10 7.025037e-10 6.987267e-10 6.947284e-10 6.904811e-10 6.859517999999999e-10 6.811003e-10 6.758774e-10 6.702213000000001e-10 6.640537e-10 6.572727000000001e-10 6.497427e-10 6.412776e-10 6.316117000000001e-10 6.20347e-10 6.068477e-10 5.900025e-10 5.675860000000001e-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" [ 0.295322 0.44008 0.553116 0.652904 0.747147 0.83751 0.921458 0.996627 1.06277 1.12083 1.172 1.21729 1.25752 1.29331 1.32512 1.35325 1.37786 1.39902 1.41675 1.43108 1.44205 1.44973 1.45424 1.45571 1.45501 1.45267 1.44836 1.44163 1.43191 1.41849 1.40045 1.37651 1.34495 1.30334 1.24822 1.1745 1.07449 0.935056 0.7329 0.424571 -0.0811189 -1.01371 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.731580040078976e-20 7.050858872816641e-20 8.86189523790413e-20 1.0460675244268033e-19 1.1970614557008577e-19 1.3418389416862081e-19 1.4763384646491265e-19 1.5967724790580417e-19 1.7027452472876161e-19 1.795767621891264e-19 1.8777509995776e-19 1.950313578733632e-19 2.0147691441884161e-19 2.072111045446848e-19 2.1230762837544963e-19 2.1681455120976003e-19 2.207575078735488e-19 2.241477136031616e-19 2.2698837275184e-19 2.2928429184944638e-19 2.31041879602464e-19 2.322723512472384e-19 2.329949329032192e-19 2.332304528664768e-19 2.331183005030208e-19 2.327433911737536e-19 2.3205285305018884e-19 2.309745881843904e-19 2.294172725089728e-19 2.272671514838592e-19 2.24376824859936e-19 2.205412140297408e-19 2.1548474461449603e-19 2.088180876953472e-19 1.9998689016149763e-19 1.8817564411296004e-19 1.721522757283392e-19 1.498124862338765e-19 1.17423524538432e-19 6.802377300696768e-20 -1.2996680508501312e-20 -1.6241424622711682e-19 ] } }