{ "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" [ 9.44664 8.81368 8.421397 8.136382 7.912395 7.727855 7.570927 7.434412 7.313607 7.205265 7.107055 7.017242 6.934502 6.857803 6.786321 6.719393 6.656473 6.597107 6.540915 6.487576 6.436813 6.388389 6.342098 6.29776 6.267576 6.235808 6.202282 6.16679 6.129089 6.088885 6.045821 5.999459 5.949253 5.894506 5.834315 5.767475 5.692334 5.606534 5.506543 5.386717 5.23719 5.03821 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.446640000000002e-10 8.81368e-10 8.421397000000001e-10 8.136381999999999e-10 7.912395e-10 7.727855e-10 7.570927000000001e-10 7.434412e-10 7.313607000000001e-10 7.205265e-10 7.107055e-10 7.017242e-10 6.934502000000001e-10 6.857803e-10 6.786321e-10 6.719393e-10 6.656473e-10 6.597107e-10 6.540915e-10 6.487576e-10 6.436813e-10 6.388389e-10 6.342098000000001e-10 6.29776e-10 6.267576000000001e-10 6.235808e-10 6.202282000000001e-10 6.16679e-10 6.129089e-10 6.088885000000001e-10 6.045821e-10 5.999459e-10 5.949253e-10 5.894506000000001e-10 5.834315000000001e-10 5.767475e-10 5.692334e-10 5.606534e-10 5.506543e-10 5.386717e-10 5.23719e-10 5.03821e-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 1.45001 1.62068 1.7505 1.85465 1.94084 2.01357 2.07574 2.12932 2.17575 2.2161 2.25118 2.28165 2.30802 2.33073 2.35012 2.3665 2.38013 2.39123 2.39998 2.40655 2.4111 2.41374 2.41459 2.41418 2.41283 2.41033 2.40643 2.40079 2.39298 2.38244 2.36842 2.3499 2.32546 2.29306 2.24971 2.19084 2.10898 1.99165 1.81544 1.53158 1.01925 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 2.323172121926208e-19 2.596615605798144e-19 2.8046101747104e-19 2.97147686976672e-19 3.109568472713472e-19 3.226094778344256e-19 3.325702098859392e-19 3.411546722201856e-19 3.4859357827056e-19 3.5505836093548804e-19 3.6067879652125444e-19 3.65560628684832e-19 3.697855684338816e-19 3.734241115397184e-19 3.765307320074496e-19 3.7915509731232e-19 3.813388640464704e-19 3.8311728009555844e-19 3.845191846387584e-19 3.8557181467862407e-19 3.8630080504108798e-19 3.8672377966897924e-19 3.8685996468174723e-19 3.867942754402944e-19 3.8657798159648645e-19 3.8617743744128644e-19 3.855525885591744e-19 3.8464896094504327e-19 3.833976610041984e-19 3.817089668458752e-19 3.7946271522351363e-19 3.76495484121792e-19 3.7257976446055683e-19 3.6738871220916485e-19 3.604432765579968e-19 3.510112627913472e-19 3.378958449734784e-19 3.19097506681632e-19 2.908655524465152e-19 2.4538616688848642e-19 1.6330185207504e-19 ] } }