{ "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.43592 5.071694 4.845961 4.681954 4.553065 4.446874 4.356572 4.278017 4.208502 4.146159 4.089645 4.037964 3.990352 3.946217 3.905084 3.866572 3.830365 3.796204 3.76387 3.733176 3.703966 3.676101 3.649464 3.62395 3.606581 3.588301 3.569008 3.548585 3.526891 3.503756 3.478975 3.452297 3.423407 3.391903 3.357267 3.318805 3.275567 3.226194 3.168656 3.099703 3.01366 2.89916 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.435920000000001e-10 5.071694e-10 4.845961000000001e-10 4.681954000000001e-10 4.553065e-10 4.4468740000000004e-10 4.356572e-10 4.2780170000000004e-10 4.208502e-10 4.146159e-10 4.089645e-10 4.037964e-10 3.990352e-10 3.946217e-10 3.9050840000000004e-10 3.866572e-10 3.830365e-10 3.796204e-10 3.76387e-10 3.733176e-10 3.703966e-10 3.676101e-10 3.649464e-10 3.6239499999999997e-10 3.606581e-10 3.588301e-10 3.569008e-10 3.5485850000000004e-10 3.526891e-10 3.5037560000000003e-10 3.4789750000000004e-10 3.452297e-10 3.4234070000000005e-10 3.3919030000000004e-10 3.3572669999999997e-10 3.318805e-10 3.2755670000000004e-10 3.2261940000000003e-10 3.168656e-10 3.099703e-10 3.01366e-10 2.8991600000000004e-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" [ 1.16517 1.66461 2.04791 2.36 2.62228 2.84679 3.0412 3.21081 3.35944 3.49002 3.60479 3.70557 3.79383 3.87078 3.93746 3.99473 4.04336 4.08399 4.11718 4.14346 4.16326 4.17698 4.18497 4.18757 4.18632 4.1822 4.17458 4.16266 4.14541 4.1215 4.08917 4.04607 3.98896 3.91336 3.8128 3.67771 3.49337 3.23593 2.86438 2.3019 1.38699 -0.285335 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.8668081332575362e-19 2.666999224749888e-19 3.281113523502528e-19 3.781136825088e-19 4.2013557091914243e-19 4.561060382327232e-19 4.87253953917696e-19 5.144284715830848e-19 5.382416226980353e-19 5.591628450124417e-19 5.775510260893632e-19 5.936977620737856e-19 6.078385729289664e-19 6.201673220260224e-19 6.308506357335169e-19 6.400263012408385e-19 6.478176861477889e-19 6.543273297580993e-19 6.596449539625345e-19 6.638554741219969e-19 6.670277838311809e-19 6.692259701549185e-19 6.705061092749376e-19 6.709226751963456e-19 6.707224031187457e-19 6.70062306350976e-19 6.688414477659264e-19 6.669316532339328e-19 6.641678985630529e-19 6.6033709426272e-19 6.551572572476737e-19 6.482518760120257e-19 6.391018453306368e-19 6.269893900773888e-19 6.10877901978624e-19 5.892340980082368e-19 5.596995741804096e-19 5.184531392545345e-19 4.589242669087104e-19 3.68805036341952e-19 2.222202951283392e-19 -4.5715706609596805e-20 ] } }