{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.29549 4.007676 3.829301 3.699702 3.597852 3.51394 3.442583 3.380508 3.325577 3.276313 3.231655 3.190816 3.153193 3.118317 3.085814 3.055381 3.02677 2.999776 2.974225 2.949971 2.926889 2.90487 2.883821 2.86366 2.849935 2.83549 2.820245 2.804107 2.786964 2.768682 2.749101 2.72802 2.70519 2.680296 2.652927 2.622534 2.588367 2.549353 2.503886 2.4494 2.381408 2.29093 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.29549e-10 4.007676e-10 3.829301e-10 3.699702e-10 3.5978520000000003e-10 3.51394e-10 3.442583e-10 3.380508e-10 3.3255770000000003e-10 3.2763130000000004e-10 3.231655e-10 3.190816e-10 3.153193e-10 3.1183169999999997e-10 3.085814e-10 3.0553810000000003e-10 3.02677e-10 2.9997760000000004e-10 2.974225e-10 2.949971e-10 2.926889e-10 2.9048699999999997e-10 2.8838210000000004e-10 2.86366e-10 2.849935e-10 2.83549e-10 2.820245e-10 2.8041070000000003e-10 2.786964e-10 2.7686820000000004e-10 2.749101e-10 2.72802e-10 2.70519e-10 2.680296e-10 2.652927e-10 2.622534e-10 2.588367e-10 2.549353e-10 2.503886e-10 2.4494e-10 2.381408e-10 2.29093e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.1582 1.53282 2.26264 2.54743 2.78756 2.9944 3.17491 3.33373 3.47413 3.59856 3.70889 3.80661 3.89291 3.96878 4.03505 4.09243 4.14151 4.18282 4.21683 4.24393 4.26449 4.27883 4.28725 4.29 4.28866 4.28426 4.27611 4.26334 4.24467 4.21856 4.18303 4.13537 4.07182 3.98712 3.87367 3.72007 3.5087 3.21072 2.77602 2.10979 1.01002 -1.03818 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.85564096221056e-19 2.4558483678946563e-19 3.6251489092869125e-19 4.081432789124544e-19 4.466163461077248e-19 4.797557673323521e-19 5.086766575144129e-19 5.341224266059584e-19 5.5661698636199045e-19 5.765528700546049e-19 5.942296847118912e-19 6.098861546503489e-19 6.237129388878529e-19 6.358686529098625e-19 6.464862773759041e-19 6.556795668260544e-19 6.635430496809409e-19 6.701616413014657e-19 6.756106439888064e-19 6.799525426311744e-19 6.8324661776353925e-19 6.855441390377665e-19 6.868931717524801e-19 6.873337703232001e-19 6.871190786560128e-19 6.864141209428608e-19 6.851083469969089e-19 6.830623674521473e-19 6.800711037011137e-19 6.758878205442048e-19 6.701952870105023e-19 6.625593132357696e-19 6.523774808105856e-19 6.388070448324097e-19 6.206303510694336e-19 5.960209181739456e-19 5.621557109400961e-19 5.144140519934976e-19 4.447674342873216e-19 3.380256212797632e-19 1.618230430540416e-19 -1.6633477241821442e-19 ] } }