{ "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" [ "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" [ 6.23625 5.818398 5.55943 5.371276 5.22341 5.101585 4.997988 4.907867 4.828117 4.756595 4.69176 4.63247 4.577849 4.527215 4.480026 4.435843 4.394306 4.355115 4.31802 4.282808 4.249296 4.217329 4.18677 4.1575 4.137574 4.116602 4.094469 4.07104 4.046151 4.01961 3.991181 3.960575 3.927431 3.891289 3.851554 3.807429 3.757824 3.701183 3.635173 3.556069 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.23625e-10 5.818398000000001e-10 5.55943e-10 5.371276e-10 5.223410000000001e-10 5.101585000000001e-10 4.997988e-10 4.907867000000001e-10 4.828117e-10 4.756595e-10 4.691760000000001e-10 4.63247e-10 4.5778489999999995e-10 4.5272150000000003e-10 4.4800259999999995e-10 4.4358430000000006e-10 4.3943060000000004e-10 4.355115e-10 4.31802e-10 4.2828080000000004e-10 4.2492960000000003e-10 4.2173290000000005e-10 4.18677e-10 4.1575e-10 4.137574e-10 4.1166020000000007e-10 4.094469e-10 4.07104e-10 4.0461510000000004e-10 4.0196100000000003e-10 3.9911810000000003e-10 3.960575e-10 3.927431e-10 3.891289e-10 3.851554e-10 3.807429e-10 3.757824e-10 3.701183e-10 3.635173e-10 3.556069e-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" [ 0.130215 3.49453 4.33205 5.06147 5.49292 5.65035 5.70498 5.74004 5.78259 5.84183 5.91251 5.98542 6.05345 6.11493 6.17476 6.23662 6.30272 6.38118 6.48057 6.5975 6.71955 6.82361 6.88555 6.90422 6.89677 6.87558 6.84329 6.80245 6.75331 6.69517 6.62678 6.54613 6.45031 6.33483 6.1921 6.01262 5.77134 5.46626 5.04935 4.23826 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.08627428677472e-20 5.598854266684225e-19 6.94070923013664e-19 8.109368900880576e-19 8.800628003924736e-19 9.052858669337282e-19 9.140385578131584e-19 9.196557890456832e-19 9.264730505671873e-19 9.359643448688065e-19 9.472885292246208e-19 9.589699989668737e-19 9.69869606518176e-19 9.797197883828544e-19 9.893056111051008e-19 9.992166756813698e-19 1.0098070631448577e-18 1.0223777409116544e-18 1.0383017743457858e-18 1.0570360255728002e-18 1.076590591229664e-18 1.093262841145709e-18 1.1031867231349441e-18 1.1061779868859776e-18 1.1049843653034816e-18 1.1015893530440065e-18 1.0964159247354433e-18 1.089872635416096e-18 1.0819995395014849e-18 1.0726844846281537e-18 1.0617271987185025e-18 1.0488056442717505e-18 1.0334535878912448e-18 1.0149516522742465e-18 9.92083785365568e-19 9.633279193754497e-19 9.246706018687874e-19 8.757913975214209e-19 8.08995052023648e-19 6.790441084871809e-19 ] } }