{ "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 8.02421 7.486558 7.153342 6.911243 6.720983 6.56423 6.430931 6.314972 6.212357 6.120329 6.036906 5.960616 5.890335 5.825185 5.764467 5.707616 5.65417 5.603743 5.556012 5.510704 5.467585 5.426453 5.387132 5.34947 5.323831 5.296847 5.268369 5.238221 5.206197 5.172047 5.135467 5.096087 5.05344 5.006937 4.955809 4.899034 4.835208 4.762328 4.677393 4.57561 4.448598 4.27958 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.02421e-10 7.486558e-10 7.153342e-10 6.911243e-10 6.720983000000001e-10 6.56423e-10 6.430931000000001e-10 6.314972e-10 6.212357e-10 6.120329e-10 6.036906e-10 5.960616e-10 5.890335000000001e-10 5.825185e-10 5.764467e-10 5.707616e-10 5.65417e-10 5.603743e-10 5.556012e-10 5.510704e-10 5.467585e-10 5.426453e-10 5.387132000000001e-10 5.349470000000001e-10 5.323831e-10 5.296847e-10 5.268369e-10 5.238221e-10 5.206197e-10 5.172047e-10 5.135467e-10 5.096087e-10 5.053440000000001e-10 5.006937e-10 4.955809e-10 4.899034000000001e-10 4.835207999999999e-10 4.762328e-10 4.677393000000001e-10 4.5756100000000003e-10 4.448598e-10 4.27958e-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" [ 0.283662 0.372139 0.536367 0.714256 0.896867 1.07391 1.23703 1.41042 1.59244 1.76617 1.9292 2.08145 2.22241 2.35114 2.46676 2.56874 2.65695 2.7316 2.79317 2.84226 2.87959 2.90591 2.92197 2.92843 2.92686 2.92249 2.91391 2.89957 2.87775 2.84646 2.80337 2.74561 2.66949 2.57011 2.44073 2.27037 2.05256 1.76806 1.37174 0.790629 -0.129003 -1.74824 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.5447662460936965e-20 5.962324054878912e-20 8.593546675686337e-20 1.1443642644661249e-19 1.4369393393670335e-19 1.720593494843328e-19 1.9819405452282243e-19 2.259741949508736e-19 2.551370138026752e-19 2.829716282358336e-19 3.0909191368473603e-19 3.33485052736416e-19 3.560693343832128e-19 3.766941540227712e-19 3.952185201124608e-19 4.115575172913792e-19 4.2569031726345606e-19 4.37650565737728e-19 4.475151671919936e-19 4.553802522235009e-19 4.613611775489472e-19 4.655781064148928e-19 4.681512020678976e-19 4.691862081649345e-19 4.689346664354688e-19 4.682345152521792e-19 4.668598477115328e-19 4.645623264373057e-19 4.6106637705072e-19 4.560531664042369e-19 4.491493873452096e-19 4.398952151834689e-19 4.2769944674593926e-19 4.1177701548842886e-19 3.910480543685184e-19 3.6375337345656964e-19 3.2885636447892485e-19 2.832744396171648e-19 2.197769757816192e-19 1.2667272995264833e-19 -2.0668559061306243e-20 -2.800989255547392e-19 ] } }