{ "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.43 5.06617 4.840683 4.676854 4.548105 4.44203 4.351826 4.273356 4.203916 4.141641 4.085189 4.033563 3.986004 3.941917 3.900829 3.862358 3.826191 3.792067 3.759767 3.729108 3.699929 3.672094 3.645486 3.62 3.60265 3.58439 3.565118 3.544718 3.523047 3.499937 3.475183 3.448534 3.419675 3.388206 3.353608 3.315188 3.271996 3.222678 3.165202 3.096325 3.010375 2.896 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.43e-10 5.06617e-10 4.840683e-10 4.676853999999999e-10 4.5481049999999996e-10 4.44203e-10 4.351826e-10 4.273356e-10 4.203916000000001e-10 4.141641e-10 4.085189e-10 4.033563e-10 3.986004e-10 3.9419170000000004e-10 3.900829e-10 3.862358e-10 3.8261910000000004e-10 3.792067e-10 3.759767e-10 3.729108e-10 3.6999290000000003e-10 3.6720940000000003e-10 3.645486e-10 3.6200000000000004e-10 3.6026500000000005e-10 3.58439e-10 3.565118e-10 3.544718e-10 3.523047e-10 3.4999370000000004e-10 3.475183e-10 3.448534e-10 3.419675e-10 3.388206e-10 3.353608e-10 3.3151880000000004e-10 3.2719960000000005e-10 3.2226780000000004e-10 3.165202e-10 3.096325e-10 3.010375e-10 2.896e-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" [ 0.977746 1.39801 1.72079 1.98436 2.20628 2.39655 2.56156 2.7057 2.83217 2.94339 3.04125 3.12726 3.20265 3.26844 3.3255 3.37454 3.41621 3.45104 3.47953 3.50209 3.51909 3.53089 3.53776 3.54 3.53892 3.53537 3.52881 3.51854 3.50366 3.48303 3.45514 3.41795 3.36873 3.30362 3.21716 3.10124 2.94346 2.72386 2.40829 1.93337 1.16724 -0.21641 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5665217822807168e-19 2.239858937644608e-19 2.757009507306432e-19 3.1792951992506883e-19 3.534850234938624e-19 3.8396963805782403e-19 4.1040715447764484e-19 4.3350092828985607e-19 4.537636560131136e-19 4.715830643896512e-19 4.872619648008e-19 5.010422859163009e-19 5.13121095460512e-19 5.236618154487552e-19 5.3280383524704e-19 5.406609093954432e-19 5.473371793743168e-19 5.529175605445632e-19 5.574821617372224e-19 5.610966721937472e-19 5.638203724491072e-19 5.657109408616512e-19 5.668116362001409e-19 5.671705237632001e-19 5.669974886881536e-19 5.664287159877697e-19 5.653776881245249e-19 5.637322527349632e-19 5.613482139232129e-19 5.580429235545024e-19 5.535744529590912e-19 5.47615958106336e-19 5.397300447787584e-19 5.292982728007296e-19 5.154458537372928e-19 4.968734223489792e-19 4.7159427962599685e-19 4.364104810332288e-19 3.8585059341064325e-19 3.097600213356096e-19 1.8701246388625922e-19 -3.46727042507328e-20 ] } }