{ "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" [ 0.979243 1.3996 1.72237 1.98585 2.20766 2.39781 2.56269 2.7067 2.83305 2.94416 3.04192 3.12783 3.20313 3.26883 3.32581 3.37479 3.41639 3.45118 3.47962 3.50215 3.51913 3.5309 3.53777 3.54 3.53892 3.53538 3.52883 3.51857 3.50373 3.48313 3.45529 3.41817 3.36904 3.30406 3.21777 3.10208 2.94463 2.7255 2.41061 1.93677 1.17244 -0.207786 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5689202406820545e-19 2.2424063984716803e-19 2.759540946367296e-19 3.18168244241568e-19 3.5370612386753286e-19 3.8417151231204483e-19 4.105882004357952e-19 4.3366114595193606e-19 4.539046475557441e-19 4.717064319894529e-19 4.873693106343936e-19 5.011336099836864e-19 5.1319799993831035e-19 5.237243003369665e-19 5.328535027222849e-19 5.4070096381096325e-19 5.473660185534912e-19 5.529399910172544e-19 5.574965813268097e-19 5.61106285253472e-19 5.638267811555904e-19 5.657125430382721e-19 5.668132383767617e-19 5.671705237632001e-19 5.669974886881536e-19 5.664303181643905e-19 5.653808924777665e-19 5.637370592648256e-19 5.613594291595585e-19 5.580589453207104e-19 5.535984856084032e-19 5.476512059919936e-19 5.397797122540032e-19 5.293687685720448e-19 5.155435865111616e-19 4.970080051851264e-19 4.717817342906304e-19 4.3667323799904e-19 3.8622229838666885e-19 3.103047613866816e-19 1.878455957290752e-19 -3.329098713295488e-20 ] } }