{ "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" [ "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 5.64 5.262099 5.027891 4.857727 4.723998 4.613821 4.520129 4.438624 4.366499 4.301815 4.24318 4.189558 4.140159 4.094367 4.051689 4.011731 3.974165 3.938721 3.905173 3.873327 3.84302 3.814109 3.786471 3.76 3.741979 3.723012 3.702996 3.681806 3.659297 3.635293 3.609583 3.581903 3.551928 3.519242 3.483305 3.443399 3.398538 3.347312 3.287613 3.216072 3.126799 3.008 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.64e-10 5.262099000000001e-10 5.027891e-10 4.857727e-10 4.723998e-10 4.613821e-10 4.520129e-10 4.438624e-10 4.366499e-10 4.3018150000000007e-10 4.2431799999999997e-10 4.189558e-10 4.1401589999999997e-10 4.094367e-10 4.0516889999999997e-10 4.0117310000000003e-10 3.9741650000000003e-10 3.938721e-10 3.9051730000000003e-10 3.8733270000000003e-10 3.84302e-10 3.8141090000000006e-10 3.7864710000000004e-10 3.76e-10 3.741979e-10 3.723012e-10 3.7029960000000003e-10 3.681806e-10 3.659297e-10 3.635293e-10 3.6095830000000004e-10 3.581903e-10 3.5519280000000006e-10 3.5192420000000006e-10 3.4833050000000003e-10 3.443399e-10 3.398538e-10 3.347312e-10 3.287613e-10 3.2160720000000003e-10 3.126799e-10 3.0080000000000004e-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" [ 0.12871 0.477452 0.804188 1.10562 1.38612 1.64948 1.89862 2.13575 2.36254 2.58032 2.78933 2.98332 3.15616 3.30492 3.42855 3.52793 3.60674 3.66847 3.71592 3.75136 3.77661 3.79321 3.80242 3.80528 3.80397 3.7998 3.79235 3.78111 3.76549 3.74473 3.71792 3.68391 3.64123 3.58795 3.52152 3.43844 3.33213 3.18328 2.95648 2.58457 1.9167 0.528668 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0621615456213998e-20 7.64962438256568e-20 1.288451222943192e-19 1.77139853008308e-19 2.22080907592008e-19 2.64275831425032e-19 3.04192460084508e-19 3.4218487460654996e-19 3.78520638489036e-19 4.13412841224288e-19 4.46899935051522e-19 4.77980559574488e-19 5.05672580516544e-19 5.29506560123928e-19 5.4931426985007e-19 5.652367012387619e-19 5.778634552913159e-19 5.8775369165299795e-19 5.95356019781328e-19 6.01034133772224e-19 6.05079629773074e-19 6.07739242985514e-19 6.09214847665428e-19 6.09673070182752e-19 6.09463185043698e-19 6.087950773873199e-19 6.076014557949899e-19 6.058006092583739e-19 6.032980093560659e-19 5.99971890663882e-19 5.956764551081279e-19 5.90227452375894e-19 5.83389362501982e-19 5.7485296539603e-19 5.64209706016368e-19 5.50898822541096e-19 5.338660827450419e-19 5.100176835479519e-19 4.73680317488832e-19 4.140937662937379e-19 3.0708919543878e-19 8.47019516743512e-20 ] } }