{ "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" [ "Li" "Li" "Li" "Li" ] } "a" { "source-value" [ 6.8193 6.362382 6.079202 5.873457 5.711766 5.578551 5.465268 5.366722 5.279515 5.201306 5.13041 5.065576 5.005849 4.950481 4.898881 4.850567 4.805146 4.762291 4.721728 4.683223 4.646579 4.611623 4.578207 4.5462 4.524411 4.501478 4.477276 4.451656 4.42444 4.395418 4.364331 4.330864 4.294621 4.2551 4.211649 4.1634 4.109157 4.04722 3.975039 3.888539 3.780599 3.63696 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.8193e-10 6.362382e-10 6.079202000000001e-10 5.873457e-10 5.711766e-10 5.578551000000001e-10 5.465268e-10 5.366722e-10 5.279515e-10 5.201306e-10 5.13041e-10 5.065576e-10 5.005849000000001e-10 4.950481e-10 4.898881000000001e-10 4.850567e-10 4.805145999999999e-10 4.762291e-10 4.721728e-10 4.683223e-10 4.6465790000000003e-10 4.611623e-10 4.578207e-10 4.5462e-10 4.524411e-10 4.5014779999999996e-10 4.4772759999999997e-10 4.451656e-10 4.42444e-10 4.395418e-10 4.364331e-10 4.3308640000000004e-10 4.2946210000000003e-10 4.2550999999999996e-10 4.2116490000000003e-10 4.1634000000000003e-10 4.109157e-10 4.0472200000000004e-10 3.975039e-10 3.888539e-10 3.780599e-10 3.63696e-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" [ 0.847936 1.03807 1.16353 1.25605 1.32818 1.38631 1.43417 1.47415 1.50787 1.53651 1.56093 1.58178 1.59958 1.61474 1.62759 1.6384 1.64741 1.6548 1.66073 1.66536 1.66879 1.67113 1.67248 1.67291 1.6727 1.67203 1.67081 1.66891 1.66618 1.66245 1.65748 1.65093 1.64239 1.63128 1.61679 1.59774 1.57237 1.53793 1.48985 1.41992 1.31176 1.12681 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.358543246327424e-19 1.66317149845638e-19 1.8641805789580198e-19 2.0124139611357e-19 2.1279789617461197e-19 2.2211134894805397e-19 2.2977936631837796e-19 2.3618486850111e-19 2.41587408110958e-19 2.46176041990734e-19 2.5008855733096198e-19 2.5342909561285197e-19 2.5628097002137197e-19 2.5870986979851597e-19 2.60768666773206e-19 2.6250061971456e-19 2.63944180861794e-19 2.6512818939432e-19 2.66078280138282e-19 2.6682008791982397e-19 2.67369634505286e-19 2.67744543837642e-19 2.67960837683232e-19 2.6802973127849397e-19 2.6799608556918e-19 2.6788873973470195e-19 2.67693274185354e-19 2.6738886062489396e-19 2.6695146640381198e-19 2.6635385451932997e-19 2.65557572732232e-19 2.64508147036962e-19 2.63139888191526e-19 2.61359869951152e-19 2.59038316008486e-19 2.55986169520716e-19 2.51921447400258e-19 2.46403551072762e-19 2.3870028581648995e-19 2.27496264614928e-19 2.10167122141584e-19 1.80534865295754e-19 ] } }