{ "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" [ 5.42251 5.059182 4.834007 4.670404 4.541833 4.435904 4.345825 4.267464 4.19812 4.13593 4.079556 4.028002 3.980509 3.936482 3.895451 3.857033 3.820916 3.786839 3.754584 3.723967 3.694828 3.667032 3.640461 3.61501 3.597684 3.579449 3.560204 3.539831 3.51819 3.495113 3.470393 3.443781 3.414962 3.383536 3.348986 3.310619 3.267487 3.218237 3.16084 3.092058 3.006227 2.89201 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.42251e-10 5.059182e-10 4.834007e-10 4.670404000000001e-10 4.541833e-10 4.435904e-10 4.345825e-10 4.2674640000000004e-10 4.1981200000000004e-10 4.1359300000000004e-10 4.0795560000000005e-10 4.028002e-10 3.980509e-10 3.936482e-10 3.895451e-10 3.857033e-10 3.820916e-10 3.7868390000000003e-10 3.754584e-10 3.723967e-10 3.694828e-10 3.667032e-10 3.6404610000000005e-10 3.61501e-10 3.5976840000000005e-10 3.579449e-10 3.5602040000000005e-10 3.539831e-10 3.51819e-10 3.495113e-10 3.470393e-10 3.443781e-10 3.4149620000000004e-10 3.383536e-10 3.348986e-10 3.3106190000000003e-10 3.2674870000000003e-10 3.2182369999999997e-10 3.16084e-10 3.092058e-10 3.006227e-10 2.89201e-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" [ 1.19063 1.57667 1.86617 2.10122 2.29943 2.47018 2.6192 2.75032 2.86624 2.96899 3.06009 3.14078 3.21205 3.27471 3.32944 3.37682 3.41736 3.45148 3.47957 3.50195 3.51893 3.53078 3.53773 3.54 3.5389 3.53526 3.52849 3.51785 3.50237 3.48079 3.45143 3.41205 3.35954 3.28955 3.1958 3.06889 2.89421 2.64796 2.28872 1.73809 0.829094 -0.863958 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9075995500231043e-19 2.526103812716736e-19 2.9899339444383364e-19 3.3665255591573765e-19 3.6840929871661443e-19 3.9576646451677444e-19 4.1964210051993604e-19 4.406498403718656e-19 4.592222717601792e-19 4.756846365388992e-19 4.902804655543872e-19 5.032084287076224e-19 5.14627141484064e-19 5.246663801899968e-19 5.334350928356352e-19 5.410262056649856e-19 5.475214296857088e-19 5.529880563158784e-19 5.574885704437056e-19 5.61074241721056e-19 5.637947376231744e-19 5.656933169188225e-19 5.668068296702784e-19 5.671705237632001e-19 5.66994284334912e-19 5.664110920449409e-19 5.653264184726593e-19 5.636217025481281e-19 5.611415331391296e-19 5.576840359914432e-19 5.529800454327744e-19 5.46670673900064e-19 5.382576444642433e-19 5.270440102952641e-19 5.12023604475264e-19 4.916903809806912e-19 4.637035597685569e-19 4.242499604813568e-19 3.6669336755573765e-19 2.784727162846272e-19 1.3283550232455554e-19 -1.3842133089531265e-19 ] } }