{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 8.44734 7.881337 7.530551 7.275686 7.075393 6.910375 6.770047 6.647973 6.539947 6.443066 6.355245 6.274932 6.200945 6.132359 6.068439 6.008591 5.952327 5.899241 5.848993 5.801296 5.755903 5.712602 5.671208 5.63156 5.604569 5.576162 5.546182 5.514445 5.480732 5.44478 5.406272 5.364815 5.319919 5.270964 5.21714 5.157371 5.090179 5.013455 4.924041 4.816891 4.683181 4.50525 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.447340000000001e-10 7.881337000000001e-10 7.530551000000001e-10 7.275686000000001e-10 7.075393e-10 6.910375000000001e-10 6.770047e-10 6.647973000000001e-10 6.539947e-10 6.443066e-10 6.355245e-10 6.274932e-10 6.200945000000001e-10 6.132359000000001e-10 6.068438999999999e-10 6.008591000000001e-10 5.952327000000001e-10 5.899241e-10 5.848993e-10 5.801296e-10 5.755903000000001e-10 5.712602e-10 5.671208e-10 5.63156e-10 5.604569e-10 5.576162e-10 5.546182e-10 5.514445e-10 5.480732e-10 5.444779999999999e-10 5.406272000000001e-10 5.364815000000001e-10 5.319919e-10 5.270964000000001e-10 5.21714e-10 5.157371e-10 5.090179e-10 5.013455e-10 4.924041e-10 4.816891e-10 4.683181e-10 4.5052500000000005e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.855386 0.953225 1.07009 1.20088 1.33787 1.47544 1.60884 1.73405 1.84791 1.94874 2.03672 2.11307 2.17927 2.23669 2.2864 2.32916 2.36545 2.39565 2.42006 2.43907 2.45311 2.46262 2.46803 2.46975 2.46895 2.46636 2.46168 2.45455 2.44453 2.4311 2.41359 2.39113 2.36261 2.32666 2.28156 2.2251 2.15423 2.06434 1.94769 1.79002 1.56207 1.18606 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3704794509596289e-19 1.5272348093620801e-19 1.7144731801518721e-19 1.924021860386304e-19 2.143504035669696e-19 2.3639154733931524e-19 2.5776458346078725e-19 2.7782543692982404e-19 2.960678199342528e-19 3.122225668017792e-19 3.263185167115776e-19 3.3855113521138563e-19 3.491575444410816e-19 3.583572425977152e-19 3.66321662579712e-19 3.731725698102528e-19 3.7898686876713605e-19 3.83825442161952e-19 3.877363552933248e-19 3.907820930494656e-19 3.9303154902506883e-19 3.945552189914496e-19 3.9542199654330244e-19 3.9569757092208e-19 3.9556939679241604e-19 3.951544330476288e-19 3.944046143890944e-19 3.93262262458464e-19 3.916568814844224e-19 3.89505158282688e-19 3.8669974701966723e-19 3.8310125832935044e-19 3.7853185060682883e-19 3.7277202565505283e-19 3.655462090952448e-19 3.56500319894208e-19 3.4514569418259845e-19 3.307437285382272e-19 3.120543382565952e-19 2.867928194764416e-19 2.5027120340530562e-19 1.900277602866048e-19 ] } }