{ "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" [ "I" "I" "I" "I" ] } "a" { "source-value" [ 10.9803 10.244585 9.788619 9.457335 9.196986 8.982488 8.800083 8.641407 8.50099 8.37506 8.260906 8.156512 8.060341 7.97119 7.888104 7.810311 7.737176 7.668173 7.602859 7.54086 7.481857 7.425572 7.371766 7.32023 7.285145 7.24822 7.20925 7.167996 7.124174 7.077442 7.027386 6.973497 6.91514 6.851504 6.78154 6.703848 6.616508 6.516777 6.400551 6.26127 6.087466 5.85618 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.09803e-09 1.0244585000000001e-09 9.788619e-10 9.457335e-10 9.196986000000001e-10 8.982488e-10 8.800083000000001e-10 8.641407e-10 8.50099e-10 8.37506e-10 8.260906000000001e-10 8.156511999999999e-10 8.060340999999999e-10 7.97119e-10 7.888104e-10 7.810311e-10 7.737176000000001e-10 7.668173e-10 7.602859e-10 7.540860000000001e-10 7.481857000000001e-10 7.425572e-10 7.371766e-10 7.320229999999999e-10 7.285145e-10 7.24822e-10 7.20925e-10 7.167996e-10 7.124174e-10 7.077442e-10 7.027386000000001e-10 6.973497e-10 6.915140000000001e-10 6.851504000000001e-10 6.78154e-10 6.703848e-10 6.616508e-10 6.516777000000001e-10 6.400551e-10 6.26127e-10 6.087466e-10 5.856180000000001e-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 0.00172199 0.0255472 0.0805354 0.16305 0.262249 0.367341 0.470469 0.56691 0.654331 0.731961 0.79993 0.85883 0.909446 0.952599 0.989063 1.01954 1.04462 1.06484 1.08063 1.09235 1.1003 1.10476 1.10596 1.10524 1.10285 1.09845 1.09157 1.08164 1.0679 1.04935 1.02467 0.992022 0.948827 0.891358 0.81399 0.707847 0.558052 0.337732 -0.00661525 -0.596213 -1.75318 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 2.7589321192513923e-22 4.093112656690176e-21 1.2903193502677631e-20 2.6123489802144002e-20 4.201692166281792e-20 5.885451620612928e-20 7.537744326111553e-20 9.08289948097728e-20 1.0483538304646848e-19 1.172730801537389e-19 1.2816291442765442e-19 1.375997347241664e-19 1.4570931190800768e-19 1.5262318467974593e-19 1.5846536150983106e-19 1.633483151970432e-19 1.6736657416200963e-19 1.706061752892672e-19 1.731360121735104e-19 1.75013763173088e-19 1.7628749358662403e-19 1.770020643595008e-19 1.7719432555399683e-19 1.7707896883729922e-19 1.7669604862492804e-19 1.75991090911776e-19 1.748887933966656e-19 1.732978320122112e-19 1.7109644133523202e-19 1.6812440370364802e-19 1.641702318035136e-19 1.5893944557192577e-19 1.5201884365838015e-19 1.4281129483630464e-19 1.304155747564992e-19 1.1340959145034176e-19 8.940978675906816e-20 5.411063144960256e-20 -1.05987988907472e-21 -9.552385296170304e-20 -2.808904008054144e-19 ] } }