{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Al" "Al" ] } "a" { "source-value" [ 4.68013 4.366545 4.172197 4.030993 3.920024 3.828598 3.750851 3.683218 3.623368 3.569693 3.521036 3.476541 3.435549 3.39755 3.362136 3.328978 3.297806 3.268394 3.240556 3.21413 3.188981 3.16499 3.142056 3.12009 3.105136 3.089397 3.072787 3.055204 3.036525 3.016607 2.995272 2.972303 2.947429 2.920305 2.890485 2.85737 2.820143 2.777636 2.728097 2.668731 2.594651 2.49607 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.68013e-10 4.366545e-10 4.172197e-10 4.0309929999999997e-10 3.9200240000000003e-10 3.828598e-10 3.750851e-10 3.6832180000000003e-10 3.6233680000000003e-10 3.569693e-10 3.521036e-10 3.476541e-10 3.4355490000000003e-10 3.39755e-10 3.3621360000000003e-10 3.3289780000000003e-10 3.297806e-10 3.268394e-10 3.240556e-10 3.21413e-10 3.188981e-10 3.16499e-10 3.1420560000000004e-10 3.12009e-10 3.105136e-10 3.0893970000000003e-10 3.072787e-10 3.0552039999999997e-10 3.036525e-10 3.0166070000000004e-10 2.995272e-10 2.972303e-10 2.947429e-10 2.9203050000000003e-10 2.890485e-10 2.85737e-10 2.820143e-10 2.7776360000000004e-10 2.728097e-10 2.6687310000000004e-10 2.5946509999999997e-10 2.49607e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0636473 0.640936 1.25488 1.70999 2.04204 2.30938 2.54406 2.75601 2.94655 3.1155 3.26327 3.39102 3.5004 3.5932 3.67123 3.73616 3.78953 3.8327 3.86686 3.89304 3.91217 3.92503 3.93231 3.93462 3.93354 3.93006 3.92377 3.91414 3.90054 3.88217 3.85804 3.82685 3.78504 3.72995 3.65679 3.55802 3.42208 3.23129 2.95854 2.56082 1.96185 0.986456 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0197421603704385e-20 1.0268926746290688e-19 2.0105393979095042e-19 2.739705999801792e-19 3.2717087467384323e-19 3.700034644543104e-19 4.076033453912448e-19 4.415614788691008e-19 4.72089352201824e-19 4.991581262102401e-19 5.228334901358016e-19 5.433012964665217e-19 5.60825904344832e-19 5.75694103385856e-19 5.881958875579585e-19 5.985988203568129e-19 6.071496369820224e-19 6.14066233454016e-19 6.195392687906688e-19 6.237337671839232e-19 6.267987310595136e-19 6.288591301938624e-19 6.300255147738048e-19 6.303956175732096e-19 6.302225824981632e-19 6.296650250341248e-19 6.286572559396417e-19 6.271143598538112e-19 6.249353996495232e-19 6.219922011971136e-19 6.1812614901112325e-19 6.13128960130848e-19 6.064302596792832e-19 5.976038686752961e-19 5.858823445175232e-19 5.700576460338817e-19 5.482776570507264e-19 5.177097293024832e-19 4.740103619701632e-19 4.1028859340770565e-19 3.1432302035164803e-19 1.580476740647885e-19 ] } }