{ "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 4.127909 4.097416 4.065963 4.033489 3.999923 3.965192 3.92921 3.891885 3.853112 3.812774 3.77074 3.72686 3.680966 3.632863 3.582327 3.5291 ] "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 4.127909e-10 4.097416e-10 4.0659630000000003e-10 4.0334890000000007e-10 3.999923e-10 3.965192e-10 3.92921e-10 3.891885e-10 3.853112e-10 3.812774e-10 3.77074e-10 3.72686e-10 3.6809660000000005e-10 3.632863e-10 3.582327e-10 3.5291e-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 6.88844 6.84801 6.79288 6.72628 6.64847 6.55877 6.45568 6.33685 6.19796 6.03607 5.83765 5.60656 5.35137 5.0316 4.56831 3.07532 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0862743039631e-20 5.5988543128120195e-19 6.940709287319699e-19 8.109368967691979e-19 8.800628076431278e-19 9.0528587439219e-19 9.14038565343732e-19 9.196557966225358e-19 9.26473058200206e-19 9.35964352580022e-19 9.47288537029134e-19 9.58970006867628e-19 9.6986961450873e-19 9.79719796454562e-19 9.893056192557839e-19 9.99216683913708e-19 1.0098070714644479e-18 1.0223777493348118e-18 1.038301782900138e-18 1.0570360342815e-18 1.07659060009947e-18 1.093262850152874e-18 1.10318673222387e-18 1.1061779959995478e-18 1.103649761271096e-18 1.097172161139834e-18 1.088339361356592e-18 1.0776688649741519e-18 1.065202328584998e-18 1.050830804178018e-18 1.0343139652581118e-18 1.01527530031629e-18 9.93022669046664e-19 9.67085031518838e-19 9.3529464274701e-19 8.98269942911904e-19 8.57383997388858e-19 8.0615119516344e-19 7.31923953886854e-19 4.92720584607288e-19 ] } }