{ "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" [ "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 6.10516 5.696092 5.442569 5.25837 5.113612 4.994348 4.892929 4.804703 4.726629 4.65661 4.593139 4.535095 4.481622 4.432053 4.385856 4.342602 4.301938 4.263571 4.227256 4.192784 4.159977 4.128681 4.098765 4.07011 4.050603 4.030072 4.008404 3.985467 3.961102 3.935118 3.907287 3.877325 3.844877 3.809496 3.770595 3.727398 3.678836 3.623386 3.558764 3.481323 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.105159999999999e-10 5.696092e-10 5.442569e-10 5.25837e-10 5.113612000000001e-10 4.994348e-10 4.892929e-10 4.804703e-10 4.726629e-10 4.65661e-10 4.593139e-10 4.535095e-10 4.481622e-10 4.432053e-10 4.385856000000001e-10 4.342602e-10 4.301938e-10 4.2635709999999997e-10 4.227256e-10 4.192784e-10 4.1599769999999995e-10 4.1286810000000006e-10 4.0987650000000006e-10 4.07011e-10 4.050603e-10 4.0300719999999997e-10 4.0084039999999996e-10 3.985467e-10 3.961102e-10 3.935118e-10 3.9072870000000006e-10 3.877325e-10 3.844877e-10 3.8094960000000004e-10 3.7705950000000004e-10 3.7273980000000004e-10 3.6788360000000004e-10 3.6233860000000003e-10 3.558764e-10 3.4813230000000003e-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" [ 0.700496 1.1608 1.48676 1.78226 2.06348 2.30814 2.51678 2.70242 2.86941 3.02062 3.16074 3.28737 3.39746 3.49764 3.58645 3.66171 3.72433 3.77659 3.82026 3.85688 3.88645 3.90747 3.92004 3.92422 3.92224 3.91581 3.90398 3.88543 3.85798 3.81818 3.76169 3.68323 3.57571 3.43175 3.2399 2.98214 2.62282 2.09117 1.27498 -0.00672478 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1223183141639168e-19 1.8598066214246403e-19 2.3820521127406084e-19 2.8554953041870083e-19 3.3060594134883843e-19 3.698047945533312e-19 4.032326075697024e-19 4.3297541435823362e-19 4.597301617489728e-19 4.839566744320897e-19 5.064063732427393e-19 5.266947357919297e-19 5.443330982103169e-19 5.603837035974913e-19 5.74612634166816e-19 5.866706154149568e-19 5.967034454144064e-19 6.050764204347072e-19 6.120731257377409e-19 6.179402965231104e-19 6.22677932790816e-19 6.260457080477376e-19 6.280596440600833e-19 6.287293538875777e-19 6.284121229166592e-19 6.273819233494848e-19 6.254865484070784e-19 6.225145107754945e-19 6.181165359513984e-19 6.117398730006144e-19 6.026891772697153e-19 5.901184995029184e-19 5.728918964760768e-19 5.498269618430401e-19 5.190892033729921e-19 4.777914987952512e-19 4.202220884566656e-19 3.350423684118336e-19 2.042743147987584e-19 -1.0774285296023424e-21 ] } }