{ "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" [ "Ir" "Ir" "Ir" "Ir" ] } "a" { "source-value" [ 5.81734 5.427557 5.185986 5.010471 4.872538 4.758896 4.662258 4.578191 4.503798 4.43708 4.376601 4.321294 4.270342 4.223109 4.179091 4.137876 4.099129 4.06257 4.027967 3.99512 3.96386 3.93404 3.905534 3.87823 3.850627 3.822182 3.792842 3.762548 3.731238 3.698839 3.665275 3.630457 3.594288 3.556659 3.517449 3.476516 3.433705 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.817339999999999e-10 5.427557000000001e-10 5.185986e-10 5.010471e-10 4.872538e-10 4.758896e-10 4.662258e-10 4.5781910000000005e-10 4.503798e-10 4.43708e-10 4.376601e-10 4.321294e-10 4.2703420000000007e-10 4.223109e-10 4.179091e-10 4.1378760000000004e-10 4.099129e-10 4.0625700000000003e-10 4.0279670000000003e-10 3.99512e-10 3.9638600000000003e-10 3.93404e-10 3.905534e-10 3.87823e-10 3.850627e-10 3.8221820000000005e-10 3.792842e-10 3.762548e-10 3.731238e-10 3.698839e-10 3.665275e-10 3.630457e-10 3.5942880000000005e-10 3.556659e-10 3.5174490000000003e-10 3.4765160000000003e-10 3.433705e-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" [ 5.0055 7.47921 9.66821 11.6715 13.5326 15.2738 16.915 18.4595 19.9103 21.274 22.5491 23.7358 24.8349 25.8474 26.7701 27.6021 28.3421 28.9906 29.5437 29.9997 30.3567 30.6141 30.7727 30.826 30.7658 30.5644 30.1846 29.5793 28.6882 27.4341 25.7177 23.4125 20.3434 16.2829 10.9274 3.86122 -5.48297 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.019695141486999e-19 1.1983015502779139e-18 1.549018015460514e-18 1.8699804583731e-18 2.16816155172684e-18 2.44713254723892e-18 2.7100817764109995e-18 2.9575379575322997e-18 3.1899817435930197e-18 3.4084705711716e-18 3.61276411377294e-18 3.80289441492972e-18 3.97898964877266e-18 4.1412100329651596e-18 4.2890428709843395e-18 4.4223439669331395e-18 4.5409050378491396e-18 4.6448061925640395e-18 4.73342258219058e-18 4.8064818367009795e-18 4.86367954253478e-18 4.90491956909394e-18 4.93033009050918e-18 4.9388696919683994e-18 4.929224588631719e-18 4.8969567512229595e-18 4.83610608266364e-18 4.73912633100762e-18 4.5963563711518795e-18 4.39542739948194e-18 4.12042980202218e-18 3.7510960443525e-18 3.2593720136115595e-18 2.60880819137586e-18 1.75076249503716e-18 6.18635646273348e-19 -8.78468641892298e-19 ] } }