{ "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" [ 5.45786 5.092163 4.865518 4.700848 4.571438 4.464819 4.374152 4.29528 4.225483 4.162888 4.106146 4.054256 4.006453 3.962139 3.92084 3.882172 3.845819 3.81152 3.779055 3.748238 3.718909 3.690932 3.664187 3.63857 3.612673 3.585986 3.558459 3.530038 3.500662 3.470266 3.438776 3.406109 3.372176 3.336873 3.300085 3.261683 3.221517 3.179418 3.13519 3.088607 3.039404 2.987267 2.931826 2.872632 2.809141 2.740679 2.666401 2.585228 2.495745 2.396057 2.283531 2.154366 2.002772 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.45786e-10 5.092163000000001e-10 4.865518e-10 4.700848e-10 4.571438e-10 4.4648190000000003e-10 4.374152e-10 4.29528e-10 4.225483e-10 4.162888e-10 4.106146e-10 4.0542559999999996e-10 4.0064529999999996e-10 3.962139e-10 3.9208400000000004e-10 3.882172e-10 3.845819e-10 3.81152e-10 3.779055e-10 3.7482380000000003e-10 3.718909e-10 3.690932e-10 3.664187e-10 3.63857e-10 3.612673e-10 3.585986e-10 3.558459e-10 3.530038e-10 3.5006620000000004e-10 3.4702660000000004e-10 3.438776e-10 3.406109e-10 3.372176e-10 3.3368730000000003e-10 3.300085e-10 3.261683e-10 3.221517e-10 3.179418e-10 3.13519e-10 3.088607e-10 3.039404e-10 2.9872670000000005e-10 2.931826e-10 2.872632e-10 2.809141e-10 2.740679e-10 2.666401e-10 2.585228e-10 2.495745e-10 2.396057e-10 2.283531e-10 2.154366e-10 2.0027720000000002e-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" [ 1.15562 1.45687 1.71958 1.94985 2.14768 2.31422 2.45465 2.57501 2.68022 2.77364 2.85744 2.93314 3.00226 3.0667 3.12852 3.18801 3.24339 3.29217 3.33213 3.36243 3.38354 3.39693 3.4043 3.40666 3.40416 3.39619 3.38204 3.36079 3.3313 3.29217 3.2417 3.17795 3.09881 3.002 2.88495 2.74452 2.57663 2.37509 2.12899 1.81637 1.39078 0.754139 -0.281327 -1.98435 -4.87214 -9.95977 -19.3477 -37.604 -75.284 -159.043 -364.304 -938.731 -2883.88 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.85150736178308e-19 2.33416307277558e-19 2.75507089629372e-19 3.1240041098049e-19 3.4409627133091194e-19 3.70778920993548e-19 3.9327828746481e-19 4.1256208543163392e-19 4.2941858579794795e-19 4.44386119912776e-19 4.57812360105696e-19 4.699408372250759e-19 4.81015082119284e-19 4.9133950834878e-19 5.012441643001679e-19 5.107755130958339e-19 5.19648367294926e-19 5.27463784915578e-19 5.338660827450419e-19 5.387206779460619e-19 5.42102872820436e-19 5.442481873333619e-19 5.4542899151262e-19 5.45807105198244e-19 5.45406561039744e-19 5.44129626262446e-19 5.41862546325336e-19 5.38457920978086e-19 5.3373310208442e-19 5.27463784915578e-19 5.193775994437799e-19 5.0916372340202995e-19 4.964840975205539e-19 4.809734255267999e-19 4.622199480258299e-19 4.39720581554568e-19 4.12821638046342e-19 3.80531370164706e-19 3.41101803201966e-19 2.9101455726985798e-19 2.22827521903452e-19 1.208263884588126e-19 -4.50735545913318e-20 -3.1792792036779e-19 -7.806028865576759e-19 -1.595731077401418e-18 -3.09984328616418e-18 -6.0248250144935995e-18 -1.20618265714056e-17 -2.54814978401262e-17 -5.836793564727359e-17 -1.5040128738114539e-16 -4.62048515125992e-16 ] } }