{ "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" [ 0 1.53282 1.81538 2.04575 2.24458 2.99398 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 4.27607 4.2632 4.24446 4.21834 4.18281 4.13514 4.07159 3.98689 3.87343 3.71984 3.50846 3.21048 2.77601 2.10979 1.01002 -1.03818 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 2.4558483881278797e-19 2.90855941783092e-19 3.2776528490055e-19 3.5962136291437197e-19 4.79688479866332e-19 5.086766617052939e-19 5.34122431006482e-19 5.56616990947842e-19 5.765528748047039e-19 5.94229689607626e-19 6.09886159675074e-19 6.23712944026494e-19 6.35868658148652e-19 6.4648628270216995e-19 6.55679572228062e-19 6.63543055147734e-19 6.70161646822788e-19 6.756106495550219e-19 6.799525482331619e-19 6.83246623392666e-19 6.85544144685822e-19 6.8689317741165e-19 6.87333775986e-19 6.87119084317044e-19 6.864141265980839e-19 6.851019439348379e-19 6.8303994260688e-19 6.800374635947639e-19 6.75852578226756e-19 6.70160044646154e-19 6.62522468631876e-19 6.523406361228059e-19 6.387702000328259e-19 6.20591903943462e-19 5.95984073021856e-19 5.62117263332364e-19 5.14375603992432e-19 4.44765835775034e-19 3.3802562406468595e-19 1.6182304438726798e-19 -1.66334773788612e-19 ] } }