{ "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" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.2903 4.002834 3.824674 3.695231 3.593505 3.509694 3.438423 3.376424 3.321559 3.272354 3.227751 3.186961 3.149384 3.11455 3.082086 3.05169 3.023113 2.996152 2.970632 2.946407 2.923352 2.90136 2.880337 2.8602 2.846491 2.832064 2.816837 2.800719 2.783596 2.765337 2.745779 2.724723 2.701921 2.677057 2.649721 2.619365 2.585239 2.546271 2.500859 2.446439 2.378529 2.28816 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2903e-10 4.0028340000000004e-10 3.824674e-10 3.6952310000000004e-10 3.593505e-10 3.5096940000000005e-10 3.438423e-10 3.376424e-10 3.321559e-10 3.2723540000000003e-10 3.2277510000000004e-10 3.1869610000000004e-10 3.149384e-10 3.11455e-10 3.082086e-10 3.05169e-10 3.023113e-10 2.996152e-10 2.9706320000000004e-10 2.9464070000000005e-10 2.923352e-10 2.90136e-10 2.8803370000000003e-10 2.8602e-10 2.846491e-10 2.832064e-10 2.816837e-10 2.800719e-10 2.7835960000000004e-10 2.765337e-10 2.7457790000000005e-10 2.724723e-10 2.701921e-10 2.677057e-10 2.649721e-10 2.6193650000000005e-10 2.585239e-10 2.546271e-10 2.5008590000000005e-10 2.446439e-10 2.378529e-10 2.28816e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0.0549061 0.805974 1.69294 2.34072 2.71398 2.87837 3.00629 3.14695 3.29939 3.45688 3.61159 3.75629 3.88552 3.99583 4.08563 4.1547 4.20383 4.2346 4.25492 4.26905 4.27731 4.28 4.2787 4.27442 4.26647 4.254 4.23591 4.21077 4.17667 4.1311 4.07057 3.99023 3.8831 3.73884 3.54144 3.26499 2.86481 2.25707 1.26506 -0.971499 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 8.796926975930689e-21 1.2913126997726591e-19 2.712388888417152e-19 3.7502468598389766e-19 4.348275305318784e-19 4.611657120012096e-19 4.816607553344832e-19 5.041969716826561e-19 5.286205520901312e-19 5.538532316911104e-19 5.786405061915072e-19 6.018240018944832e-19 6.225289303650817e-19 6.4020254066912645e-19 6.545900867239104e-19 6.656563206437761e-19 6.735278143817665e-19 6.784577118439681e-19 6.817133347374337e-19 6.8397721030262405e-19 6.853006081914048e-19 6.857315937024e-19 6.85523310741696e-19 6.848375791479937e-19 6.835638487344576e-19 6.8156593448832e-19 6.786675969812928e-19 6.746397249566017e-19 6.691763026796736e-19 6.61875183818688e-19 6.521772087329857e-19 6.393053217614784e-19 6.221412036228481e-19 5.990282036911873e-19 5.674012371965952e-19 5.231090645145793e-19 4.589931605034048e-19 3.6162247855090565e-19 2.0268495559092482e-19 -1.5565129849305792e-19 ] } }