{ "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" [ 5.38918 5.028086 4.804294 4.641697 4.513916 4.408639 4.319113 4.241234 4.172316 4.110509 4.054481 4.003244 3.956042 3.912286 3.871507 3.833326 3.79743 3.763563 3.731506 3.701077 3.672118 3.644493 3.618084 3.59279 3.57557 3.557447 3.538321 3.518073 3.496565 3.473629 3.449061 3.422613 3.39397 3.362738 3.328399 3.290268 3.247401 3.198453 3.141409 3.07305 2.987746 2.87423 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.38918e-10 5.028086e-10 4.804294e-10 4.6416969999999997e-10 4.513916e-10 4.408639e-10 4.319113e-10 4.241234000000001e-10 4.1723160000000006e-10 4.1105090000000007e-10 4.054481e-10 4.003244e-10 3.956042e-10 3.912286e-10 3.871507e-10 3.833326e-10 3.79743e-10 3.763563e-10 3.7315060000000003e-10 3.701077e-10 3.672118e-10 3.6444930000000005e-10 3.618084e-10 3.59279e-10 3.5755700000000003e-10 3.557447e-10 3.538321e-10 3.518073e-10 3.496565e-10 3.473629e-10 3.449061e-10 3.422613e-10 3.39397e-10 3.362738e-10 3.3283990000000003e-10 3.290268e-10 3.247401e-10 3.1984530000000004e-10 3.141409e-10 3.07305e-10 2.987746e-10 2.87423e-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" [ 0.994238 1.41093 1.72995 1.99514 2.21278 2.39811 2.55795 2.69681 2.81794 2.92379 3.01636 3.09742 3.1694 3.23596 3.29758 3.34977 3.392 3.4262 3.45375 3.47541 3.49167 3.50292 3.50947 3.51159 3.51057 3.50721 3.50099 3.4913 3.47729 3.45793 3.43194 3.39779 3.35369 3.29667 3.22037 3.1159 2.9724 2.77264 2.48658 2.05973 1.39373 0.191608 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5929448791109504e-19 2.2605590595853443e-19 2.77168544515296e-19 3.196566663222912e-19 3.545264382973824e-19 3.842195776106688e-19 4.0982876871753603e-19 4.3207659327396483e-19 4.514837586817153e-19 4.684427982128832e-19 4.832741471916289e-19 4.962613908798337e-19 5.077938581963521e-19 5.184579457843968e-19 5.283305581217664e-19 5.366923179057216e-19 5.4345830977536e-19 5.48937753818496e-19 5.533517504088e-19 5.568220649694528e-19 5.594272041548736e-19 5.612296528532736e-19 5.622790785398976e-19 5.626187399835072e-19 5.624553179681857e-19 5.619169866235968e-19 5.609204327654592e-19 5.59367923619904e-19 5.571232741741632e-19 5.540214602362944e-19 5.498574031988352e-19 5.443859700388033e-19 5.373203711410752e-19 5.281847600492737e-19 5.159601524325696e-19 4.99222213275072e-19 4.76230978766592e-19 4.442258985894912e-19 3.983940341748864e-19 3.300051251160384e-19 2.233001621707584e-19 3.0698985795824644e-20 ] } }