{ "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 8.35388 7.794138 7.447233 7.195188 6.997111 6.833918 6.695142 6.574419 6.467588 6.371779 6.284929 6.205505 6.132336 6.064509 6.001296 5.94211 5.886468 5.833969 5.784278 5.737109 5.692218 5.649395 5.608459 5.56925 5.542557 5.514464 5.484816 5.45343 5.42009 5.384537 5.346454 5.305456 5.261057 5.212643 5.159414 5.100306 5.033858 4.957983 4.869558 4.763593 4.631363 4.4554 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.35388e-10 7.794138000000001e-10 7.447233e-10 7.195188e-10 6.997111000000001e-10 6.833918e-10 6.695142e-10 6.574419e-10 6.467588000000001e-10 6.371779e-10 6.284929000000001e-10 6.205504999999999e-10 6.132336e-10 6.064509e-10 6.001296000000001e-10 5.94211e-10 5.886468e-10 5.833969e-10 5.784278e-10 5.737109000000001e-10 5.692218000000001e-10 5.649395000000001e-10 5.608459e-10 5.56925e-10 5.542557000000001e-10 5.514464000000001e-10 5.484816e-10 5.45343e-10 5.420090000000001e-10 5.384537e-10 5.346454e-10 5.305456e-10 5.261057e-10 5.212643e-10 5.159414e-10 5.100306e-10 5.033858000000001e-10 4.957983e-10 4.869557999999999e-10 4.763593000000001e-10 4.631363e-10 4.4554e-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" [ 1.49241 2.16393 2.46613 2.67125 2.83683 3.0496 3.4378 3.74604 3.97336 4.14584 4.31591 4.4965 4.69861 4.95175 5.2596 5.53974 5.75306 5.89806 6.00637 6.10455 6.19498 6.27325 6.32634 6.34461 6.33572 6.30715 6.25677 6.18374 6.08463 5.95398 5.78405 5.56449 5.28289 4.92862 4.48425 3.93807 3.30613 2.61621 1.87037 0.948317 -0.193031 -1.5649 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.3911044106481284e-19 3.4669980550477443e-19 3.9511758298535046e-19 4.2798142983120004e-19 4.545102703184064e-19 4.8859978227916805e-19 5.50796278698624e-19 6.001817708581632e-19 6.366024498021889e-19 6.642367921577472e-19 6.914850099476928e-19 7.2041871754272e-19 7.528003092257089e-19 7.9335780820464e-19 8.42680815475968e-19 8.875641913310593e-19 9.217418230059648e-19 9.449733840075648e-19 9.623265589874498e-19 9.78056729050464e-19 9.925452122323585e-19 1.00508544864336e-18 1.0135914043231874e-18 1.016518581009389e-18 1.0150942459934978e-18 1.0105168273878721e-18 1.0024450615722817e-18 9.907443657105792e-19 9.748651932218305e-19 9.539327556710785e-19 9.26706968353824e-19 8.915295784675392e-19 8.4641228482581125e-19 7.896519736807296e-19 7.184560511822401e-19 6.309483685073857e-19 5.297004191325504e-19 4.1916304971031686e-19 2.9966630862456963e-19 1.5193713265071936e-19 -3.0926975528964484e-20 -2.50724619388992e-19 ] } }