{ "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 6.07498 5.667935 5.415664 5.232376 5.088334 4.96966 4.868741 4.780951 4.703263 4.633591 4.570433 4.512676 4.459468 4.410144 4.364175 4.321135 4.280672 4.242495 4.206359 4.172057 4.139412 4.108272 4.078503 4.04999 4.030579 4.01015 3.988589 3.965765 3.94152 3.915665 3.887971 3.858157 3.82587 3.790663 3.751954 3.708971 3.660649 3.605472 3.541169 3.46411 3.367951 3.23999 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.07498e-10 5.667935e-10 5.415664e-10 5.232376e-10 5.088334e-10 4.969660000000001e-10 4.868741000000001e-10 4.780951e-10 4.703263e-10 4.633591e-10 4.570433000000001e-10 4.512676e-10 4.4594680000000006e-10 4.410144e-10 4.3641750000000006e-10 4.321135e-10 4.2806720000000004e-10 4.242495e-10 4.206359e-10 4.1720569999999997e-10 4.1394120000000004e-10 4.1082720000000006e-10 4.0785030000000004e-10 4.0499900000000004e-10 4.0305790000000006e-10 4.0101500000000004e-10 3.988589e-10 3.965765e-10 3.9415200000000005e-10 3.9156650000000005e-10 3.887971e-10 3.858157e-10 3.8258700000000005e-10 3.790663e-10 3.7519540000000004e-10 3.7089710000000004e-10 3.660649e-10 3.605472e-10 3.541169e-10 3.46411e-10 3.367951e-10 3.23999e-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 0 1.93742 2.16452 2.34941 2.50369 2.63448 2.74653 2.84319 2.9269 2.99956 3.06262 3.11727 3.16445 3.20497 3.23948 3.26855 3.29266 3.31222 3.3276 3.33912 3.34705 3.35165 3.35314 3.35242 3.35009 3.34577 3.33899 3.3293 3.31596 3.29804 3.2743 3.24307 3.20205 3.14799 3.07612 2.97923 2.8458 2.65643 2.37559 1.93063 1.14563 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 3.104089028670336e-19 3.467943339254016e-19 3.7641697746737284e-19 4.0113535837307527e-19 4.220902263965184e-19 4.400426154325824e-19 4.555292546492352e-19 4.68941075141952e-19 4.805824904686848e-19 4.906858162394496e-19 4.994417114721216e-19 5.07000780769056e-19 5.134928004365376e-19 5.190219119549185e-19 5.23679439391584e-19 5.275422872243328e-19 5.306761446946176e-19 5.331402923374081e-19 5.349859998045696e-19 5.36256525864864e-19 5.36993527110432e-19 5.372322514269312e-19 5.371168947102337e-19 5.367435875575872e-19 5.360514472574017e-19 5.349651715084992e-19 5.33412662362944e-19 5.312753587507968e-19 5.2840425824632325e-19 5.246006909485441e-19 5.195970933617856e-19 5.13024964863264e-19 5.043635980512192e-19 4.928487546775296e-19 4.773252653985984e-19 4.55947422747264e-19 4.256070040791744e-19 3.806114758606272e-19 3.0932102494151045e-19 1.835501602087104e-19 ] } }