{ "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.24805 4.896411 4.67848 4.520141 4.395705 4.293185 4.206004 4.130163 4.06305 4.002862 3.948301 3.898406 3.85244 3.80983 3.770119 3.732937 3.697982 3.665001 3.633784 3.604152 3.57595 3.549049 3.523332 3.4987 3.473798 3.448137 3.421668 3.39434 3.366093 3.336865 3.306585 3.275175 3.242546 3.2086 3.173226 3.1363 3.097678 3.057197 3.014669 2.969877 2.922565 2.872432 2.819122 2.762204 2.701153 2.635322 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.24805e-10 4.896411e-10 4.678480000000001e-10 4.520141e-10 4.3957050000000007e-10 4.2931850000000006e-10 4.206004e-10 4.130163e-10 4.0630499999999997e-10 4.0028620000000005e-10 3.948301e-10 3.898406e-10 3.8524400000000004e-10 3.80983e-10 3.770119e-10 3.7329370000000005e-10 3.697982e-10 3.665001e-10 3.633784e-10 3.604152e-10 3.5759500000000005e-10 3.5490490000000005e-10 3.523332e-10 3.4987e-10 3.473798e-10 3.448137e-10 3.421668e-10 3.39434e-10 3.3660929999999997e-10 3.3368650000000003e-10 3.306585e-10 3.275175e-10 3.242546e-10 3.2086e-10 3.173226e-10 3.1363e-10 3.0976780000000003e-10 3.057197e-10 3.0146690000000004e-10 2.969877e-10 2.922565e-10 2.872432e-10 2.8191220000000004e-10 2.7622040000000003e-10 2.7011530000000005e-10 2.635322e-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" [ 1.55786 2.34236 2.75079 3.06471 3.28206 3.42422 3.51921 3.5865 3.63779 3.68054 3.71975 3.75976 3.80547 3.8594 3.91663 3.96931 4.01281 4.04635 4.07129 4.08933 4.10193 4.11022 4.11502 4.11663 4.11479 4.10855 4.0965 4.07667 4.04544 3.99484 3.91346 3.78594 3.59119 3.30141 2.88403 2.28971 1.40939 0.0275068 -2.17683 -5.65161 -11.0995 -19.7295 -33.6992 -57.0872 -98.4755 -175.681 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.49596689104324e-19 3.75287446041624e-19 4.40725146304086e-19 4.910206751986139e-19 5.25843984338604e-19 5.48620527367548e-19 5.63839603213914e-19 5.746206497840999e-19 5.828382137398859e-19 5.89687518850236e-19 5.959696534321499e-19 6.023799621447839e-19 6.09703511538798e-19 6.1834405012596e-19 6.27513307002342e-19 6.35953573510254e-19 6.429230418681539e-19 6.4829674229859e-19 6.52292570823786e-19 6.5518289747152205e-19 6.5720164003036205e-19 6.58529844459948e-19 6.59298889244268e-19 6.595568396823419e-19 6.59262039181686e-19 6.5826228096207e-19 6.563316581180999e-19 6.53154541852878e-19 6.481509442248959e-19 6.40043930456856e-19 6.270054170093639e-19 6.065744605725959e-19 5.75372070625446e-19 5.28944196125394e-19 4.62072547775502e-19 3.66851986063614e-19 2.2580917261932595e-19 4.40707522361112e-21 -3.4876661621902194e-19 -9.05487748648074e-19 -1.7783359549083002e-18 -3.1610143900503002e-18 -5.399207082449279e-18 -9.14637779404848e-18 -1.57775145121467e-17 -2.81471993237754e-17 ] } }