{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.41972 5.056579 4.831519 4.668001 4.539496 4.433622 4.343589 4.265268 4.19596 4.133802 4.077457 4.02593 3.97846 3.934457 3.893447 3.855049 3.81895 3.784891 3.752653 3.722051 3.692927 3.665145 3.638588 3.61315 3.595833 3.577607 3.558372 3.53801 3.51638 3.493314 3.468607 3.442009 3.413204 3.381795 3.347262 3.308914 3.265805 3.21658 3.159212 3.090466 3.004679 2.89052 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.41972e-10 5.056579e-10 4.831519e-10 4.668001e-10 4.539496e-10 4.433622e-10 4.343589e-10 4.265268e-10 4.1959600000000005e-10 4.1338020000000004e-10 4.077457e-10 4.02593e-10 3.9784600000000004e-10 3.9344570000000005e-10 3.893447e-10 3.855049e-10 3.81895e-10 3.7848910000000003e-10 3.7526530000000004e-10 3.722051e-10 3.692927e-10 3.665145e-10 3.638588e-10 3.61315e-10 3.595833e-10 3.5776070000000003e-10 3.558372e-10 3.53801e-10 3.51638e-10 3.493314e-10 3.468607e-10 3.4420090000000004e-10 3.413204e-10 3.381795e-10 3.347262e-10 3.308914e-10 3.265805e-10 3.21658e-10 3.159212e-10 3.0904660000000004e-10 3.004679e-10 2.89052e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.06662 1.46766 1.77151 2.01822 2.22507 2.40394 2.55947 2.69548 2.81506 2.92045 3.0133 3.09498 3.16679 3.23016 3.28524 3.33268 3.37304 3.40681 3.43483 3.45711 3.47396 3.48567 3.49253 3.49477 3.49383 3.49053 3.4842 3.47414 3.45944 3.4389 3.41095 3.37362 3.32413 3.25823 3.17008 3.05142 2.89006 2.66321 2.33342 1.83015 1.00665 -0.516339 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7089136272776959e-19 2.351450539283328e-19 2.838271905513408e-19 3.2335448996309763e-19 3.5649551336434564e-19 3.851536465805952e-19 4.1007229956389764e-19 4.318635037833984e-19 4.510223318149248e-19 4.67907671221536e-19 4.82783881145664e-19 4.958704597843585e-19 5.073756900983232e-19 5.175286833443328e-19 5.263534721716992e-19 5.339541980607744e-19 5.404205829023233e-19 5.458311333507649e-19 5.503204322422464e-19 5.538900817533889e-19 5.565897493594368e-19 5.584658981823936e-19 5.595649913442625e-19 5.599238789073217e-19 5.597732743049664e-19 5.592445560201025e-19 5.58230378219136e-19 5.566185885386112e-19 5.542633889060352e-19 5.50972518126912e-19 5.4649443447177605e-19 5.405135091463296e-19 5.325843370499904e-19 5.220259931189185e-19 5.079028062065664e-19 4.888913784241536e-19 4.630386564709249e-19 4.266932798280768e-19 3.738550970507136e-19 2.93222354255712e-19 1.6128310953283203e-19 -8.272662742072512e-20 ] } }