{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Fe" ] } "a" { "source-value" [ 3.58428 3.34412 3.195278 3.087137 3.002151 2.932132 2.87259 2.820793 2.774956 2.733849 2.696586 2.662508 2.631115 2.602013 2.574892 2.549498 2.525624 2.503099 2.481779 2.461541 2.44228 2.423907 2.406343 2.38952 2.372513 2.354987 2.336909 2.318245 2.298953 2.278991 2.258311 2.236858 2.214573 2.191389 2.16723 2.14201 2.115632 2.087985 2.05894 2.028348 1.996035 1.961796 1.925386 1.886512 1.844816 1.799856 1.751076 1.697768 1.639003 1.573535 1.499637 1.414811 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.58428e-10 3.3441200000000005e-10 3.195278e-10 3.087137e-10 3.002151e-10 2.9321320000000005e-10 2.8725900000000004e-10 2.820793e-10 2.774956e-10 2.7338490000000005e-10 2.696586e-10 2.662508e-10 2.631115e-10 2.602013e-10 2.574892e-10 2.5494979999999997e-10 2.525624e-10 2.503099e-10 2.481779e-10 2.461541e-10 2.44228e-10 2.423907e-10 2.406343e-10 2.38952e-10 2.3725130000000003e-10 2.354987e-10 2.3369089999999997e-10 2.3182450000000002e-10 2.298953e-10 2.278991e-10 2.258311e-10 2.2368579999999998e-10 2.2145730000000002e-10 2.1913890000000002e-10 2.16723e-10 2.14201e-10 2.1156320000000003e-10 2.0879850000000003e-10 2.0589400000000003e-10 2.028348e-10 1.9960350000000002e-10 1.9617960000000002e-10 1.925386e-10 1.886512e-10 1.844816e-10 1.7998559999999998e-10 1.7510760000000001e-10 1.697768e-10 1.6390030000000002e-10 1.573535e-10 1.499637e-10 1.414811e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.869762 1.51888 1.82849 2.03205 2.21934 2.39687 2.55123 2.68547 2.80837 2.92508 3.04054 3.15551 3.26711 3.37342 3.47332 3.56623 3.65192 3.73027 3.8007 3.86117 3.90977 3.94523 3.96679 3.97402 3.96595 3.93936 3.89053 3.81565 3.71196 3.57714 3.4086 3.20343 2.95842 2.66959 2.33071 1.93386 1.46733 0.909605 0.227073 -0.6292 -1.71966 -3.11816 -4.91461 -7.20954 -10.1172 -13.7652 -18.2796 -23.9197 -31.4221 -42.1274 -58.3719 -85.4228 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.393512353541108e-19 2.43351404584992e-19 2.9295639535026597e-19 3.2557030291197e-19 3.5557746909015595e-19 3.8402091087355796e-19 4.0875210939598194e-19 4.3025972853079796e-19 4.49950479362658e-19 4.686494828580719e-19 4.87148214274236e-19 5.05568439035334e-19 5.23448730270774e-19 5.404814700668279e-19 5.56487214640488e-19 5.71373037746982e-19 5.85102089323728e-19 5.976551432511179e-19 6.0893927328438e-19 6.18627635390178e-19 6.264142138314179e-19 6.32095532175582e-19 6.355498249984859e-19 6.367081987048679e-19 6.354152421612299e-19 6.311550544914239e-19 6.23331625987602e-19 6.1133452735221e-19 5.947215578342639e-19 5.73121012454676e-19 5.461179274652399e-19 5.1324606946546195e-19 4.73991139755828e-19 4.27715472036006e-19 3.7342091026301393e-19 3.09838530542724e-19 2.35092184036722e-19 1.4573478771695699e-19 3.63811054812282e-20 -1.0080895381127999e-19 -2.7551990704244396e-19 -4.99584309307344e-19 -7.874073307222739e-19 -1.1550956529888359e-18 -1.62095414415048e-18 -2.20542818023368e-18 -2.9287147998866394e-18 -3.832358443228979e-18 -5.0343754411211396e-18 -6.74955359311716e-18 -9.352209426218458e-18 -1.3686241417085518e-17 ] } }