{ "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" [ 1.86680814863778e-19 2.6669992467227396e-19 3.28111355053494e-19 3.78113685624e-19 4.2013557438055194e-19 4.56106041990486e-19 4.8725395793208e-19 5.144284758213539e-19 5.38241627132496e-19 5.591628496192679e-19 5.775510308476859e-19 5.93697766965138e-19 6.078385779368219e-19 6.20167327135452e-19 6.30850640930964e-19 6.40026306513882e-19 6.4781769148502395e-19 6.543273351489659e-19 6.59644959397212e-19 6.63855479591364e-19 6.67027789326684e-19 6.692259756685321e-19 6.705061147990979e-19 6.709226807239379e-19 6.70722408644688e-19 6.700623118714799e-19 6.688414532763719e-19 6.669316587286439e-19 6.64167904034994e-19 6.603370997031e-19 6.55157262645378e-19 6.48251881352838e-19 6.391018505960639e-19 6.269893952430239e-19 6.1087790701152e-19 5.89234102862814e-19 5.59699578791658e-19 5.18453143525962e-19 4.58924270689692e-19 3.6880503938045993e-19 2.2222029695916597e-19 -4.5715706986238995e-20 ] } }