{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Pd" "Pd" ] } "a" { "source-value" [ 4.25568 3.970534 3.793811 3.665413 3.564508 3.481373 3.410677 3.349178 3.294756 3.245948 3.201705 3.161244 3.12397 3.089417 3.057215 3.027064 2.998719 2.971975 2.946661 2.922631 2.899763 2.877948 2.857094 2.83712 2.823522 2.809211 2.794108 2.778119 2.761135 2.743023 2.723623 2.702737 2.68012 2.655456 2.62834 2.59823 2.564379 2.525727 2.480681 2.4267 2.359339 2.2697 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.25568e-10 3.970534e-10 3.793811e-10 3.665413e-10 3.564508e-10 3.481373e-10 3.4106770000000003e-10 3.3491780000000004e-10 3.2947560000000003e-10 3.245948e-10 3.201705e-10 3.161244e-10 3.12397e-10 3.089417e-10 3.0572149999999997e-10 3.027064e-10 2.998719e-10 2.971975e-10 2.946661e-10 2.922631e-10 2.899763e-10 2.8779480000000003e-10 2.857094e-10 2.83712e-10 2.8235220000000004e-10 2.809211e-10 2.794108e-10 2.778119e-10 2.761135e-10 2.7430230000000003e-10 2.723623e-10 2.7027370000000003e-10 2.68012e-10 2.655456e-10 2.6283400000000005e-10 2.59823e-10 2.5643790000000005e-10 2.5257269999999997e-10 2.480681e-10 2.4267e-10 2.359339e-10 2.2697e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.983523 1.212 1.34412 1.45969 1.57166 1.66422 1.74112 1.80391 1.85337 1.89023 1.91311 1.95343 1.99636 2.0338 2.06499 2.09725 2.12654 2.15181 2.17295 2.19008 2.2033 2.21272 2.21837 2.22025 2.21933 2.21623 2.21035 2.20097 2.18708 2.16743 2.14032 2.10347 2.05383 1.98654 1.90166 1.78946 1.6366 1.42442 1.12368 0.686818 0.103172 -0.739436 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.575777569601582e-19 1.9418380804079998e-19 2.1535176572920798e-19 2.33868121088346e-19 2.51807692859244e-19 2.66637439783548e-19 2.7895817809900796e-19 2.8901824518389397e-19 2.9694261081565796e-19 3.02848233888582e-19 3.0651401402717397e-19 3.1297399021546196e-19 3.1985213450522396e-19 3.2585068382291997e-19 3.3084787274436595e-19 3.3601649456564996e-19 3.4070926992663596e-19 3.4475797028075396e-19 3.4814497168503e-19 3.5088950025907197e-19 3.5300757776922e-19 3.54516828158448e-19 3.55422057956658e-19 3.5572326716385e-19 3.5557586691352195e-19 3.5507919215698194e-19 3.5413711229619e-19 3.5263427061349796e-19 3.5040884726887194e-19 3.47260570183062e-19 3.4291706932828796e-19 3.37013048431998e-19 3.29059843620822e-19 3.18278797050636e-19 3.04679521781244e-19 2.86703099947764e-19 2.6221222792044e-19 2.28217244100228e-19 1.8003338400931198e-19 1.100403751410612e-19 1.65299767683048e-20 -1.184707081538424e-19 ] } }