{ "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" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" ] } "a" { "source-value" [ 9.80782 9.15066 8.743379 8.447468 8.214917 8.023322 7.860393 7.718659 7.593235 7.480752 7.378786 7.285539 7.199636 7.120004 7.04579 6.976303 6.910977 6.849341 6.791002 6.735623 6.682919 6.632644 6.584583 6.53855 6.507212 6.474229 6.439421 6.402573 6.36343 6.321688 6.276978 6.228844 6.176718 6.119877 6.057384 5.987989 5.909975 5.820895 5.71708 5.592672 5.437428 5.23084 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.80782e-10 9.150660000000001e-10 8.743379e-10 8.447468000000001e-10 8.214917e-10 8.023322e-10 7.860393000000001e-10 7.718659e-10 7.593235e-10 7.480752e-10 7.378786e-10 7.285539e-10 7.199636e-10 7.120004e-10 7.045790000000001e-10 6.976303e-10 6.910977e-10 6.849341e-10 6.791002e-10 6.735623000000001e-10 6.682919000000001e-10 6.632644e-10 6.584583000000001e-10 6.53855e-10 6.507212e-10 6.474229e-10 6.439421000000001e-10 6.402573000000001e-10 6.36343e-10 6.321688e-10 6.276978e-10 6.228844e-10 6.176718000000001e-10 6.119877e-10 6.057384e-10 5.987989e-10 5.909975000000001e-10 5.820895e-10 5.717080000000001e-10 5.592672e-10 5.437428e-10 5.23084e-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" [ 2.37543 2.8263 3.13018 3.35722 3.53514 3.67815 3.79464 3.89006 3.96819 4.03173 4.08275 4.12283 4.15323 4.17498 4.19185 4.23786 4.31529 4.4122 4.51589 4.61492 4.70012 4.76489 4.80506 4.81861 4.81192 4.79556 4.77504 4.74952 4.71787 4.67865 4.62999 4.56937 4.49338 4.39728 4.27431 4.12178 3.96207 3.78538 3.53956 3.08308 2.16619 0.462496 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.80585844170262e-19 4.5282318206742e-19 5.01510125621412e-19 5.378859439197479e-19 5.66391870591876e-19 5.8930459863471e-19 6.079683542441759e-19 6.232563236858039e-19 6.357741297272459e-19 6.4595436005968185e-19 6.541286652463499e-19 6.605501891954221e-19 6.654208061627819e-19 6.689055403417319e-19 6.716084123232899e-19 6.78980027016324e-19 6.91385680693386e-19 7.0691237445348e-19 7.235253439714259e-19 7.393916991779279e-19 7.53042244099608e-19 7.63419542158026e-19 7.698554856968039e-19 7.720264350358739e-19 7.709545788677279e-19 7.68333417894504e-19 7.650457514415359e-19 7.60956996671568e-19 7.558861076249579e-19 7.4960237086641e-19 7.4180617936536595e-19 7.32093784610058e-19 7.19918844368292e-19 7.04521926915552e-19 6.848199608472539e-19 6.60381960648852e-19 6.347935976272379e-19 6.064847386810919e-19 5.671000326641039e-19 4.93963873675272e-19 3.4706190028044593e-19 7.410002845184639e-20 ] } }