{ "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" [ 4.62298 4.313224 4.121249 3.98177 3.872156 3.781846 3.705049 3.638242 3.579122 3.526102 3.47804 3.434088 3.393597 3.356062 3.321081 3.288328 3.257536 3.228483 3.200985 3.174881 3.150039 3.126342 3.103688 3.08199 3.067218 3.051672 3.035265 3.017896 2.999446 2.97977 2.958696 2.936007 2.911437 2.884645 2.855189 2.822479 2.785706 2.743717 2.694783 2.636143 2.562967 2.46559 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.6229800000000003e-10 4.313224e-10 4.121249e-10 3.9817700000000004e-10 3.8721560000000003e-10 3.781846e-10 3.7050489999999997e-10 3.638242e-10 3.579122e-10 3.526102e-10 3.47804e-10 3.4340880000000004e-10 3.393597e-10 3.356062e-10 3.321081e-10 3.288328e-10 3.257536e-10 3.2284830000000005e-10 3.2009850000000005e-10 3.174881e-10 3.150039e-10 3.1263420000000003e-10 3.103688e-10 3.0819899999999997e-10 3.067218e-10 3.0516720000000003e-10 3.035265e-10 3.0178960000000003e-10 2.999446e-10 2.97977e-10 2.958696e-10 2.936007e-10 2.911437e-10 2.884645e-10 2.855189e-10 2.822479e-10 2.785706e-10 2.7437170000000003e-10 2.694783e-10 2.636143e-10 2.562967e-10 2.46559e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.838671 1.09655 1.31437 1.53015 1.7471 1.95587 2.15663 2.34149 2.50808 2.65718 2.79013 2.90811 3.01218 3.10319 3.182 3.24949 3.3066 3.35421 3.39307 3.42389 3.44736 3.46391 3.47377 3.47705 3.47542 3.46998 3.45972 3.44331 3.41903 3.3846 3.33698 3.27207 3.18451 3.06743 2.9134 2.70782 2.42333 2.01104 1.38004 0.33119 -1.54997 -5.33354 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.343699079813414e-19 1.7568667880126997e-19 2.1058529024305799e-19 2.4515705765150995e-19 2.7991627972614e-19 3.13364921314158e-19 3.4553021941834193e-19 3.7514805667446594e-19 4.01838717220272e-19 4.2572717083321194e-19 4.47028109182242e-19 4.65930589110174e-19 4.8260444134021195e-19 4.97185850886246e-19 5.098126049387999e-19 5.20625695041666e-19 5.2977572579844e-19 5.37403688752914e-19 5.436297471526379e-19 5.48567655538626e-19 5.52327964098624e-19 5.54979566427894e-19 5.565593125890179e-19 5.5708482652497e-19 5.5682367173362795e-19 5.55952087644732e-19 5.54308254418248e-19 5.516790825618539e-19 5.47788997694502e-19 5.422727035436399e-19 5.34643138412532e-19 5.242434098812379e-19 5.102147512739339e-19 4.91456467243062e-19 4.6677814054956e-19 4.338405933077879e-19 3.8826027024712195e-19 3.2220412980393596e-19 2.21106784198536e-19 5.3062487941445996e-20 -2.48332571740098e-19 -8.545273164504359e-19 ] } }