{ "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" [ "Nb" "Nb" ] } "a" { "source-value" [ 4.96185 4.629388 4.423341 4.273637 4.155988 4.059058 3.976631 3.904927 3.841474 3.784567 3.732982 3.685808 3.642349 3.602062 3.564517 3.529363 3.496314 3.465132 3.435617 3.407601 3.380938 3.355503 3.331189 3.3079 3.284356 3.260094 3.235069 3.209231 3.182525 3.154891 3.126262 3.096565 3.065715 3.03362 3.000176 2.965263 2.928747 2.890474 2.850266 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.96185e-10 4.629388e-10 4.423341e-10 4.273637e-10 4.1559879999999997e-10 4.0590580000000005e-10 3.976631e-10 3.904927e-10 3.841474e-10 3.7845670000000004e-10 3.732982e-10 3.6858080000000003e-10 3.642349e-10 3.602062e-10 3.564517e-10 3.5293630000000003e-10 3.496314e-10 3.465132e-10 3.435617e-10 3.407601e-10 3.380938e-10 3.3555030000000004e-10 3.3311890000000005e-10 3.3079e-10 3.284356e-10 3.260094e-10 3.2350690000000005e-10 3.209231e-10 3.1825250000000003e-10 3.1548910000000004e-10 3.126262e-10 3.096565e-10 3.065715e-10 3.03362e-10 3.000176e-10 2.965263e-10 2.928747e-10 2.8904740000000005e-10 2.850266e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.118573 3.5576 4.03659 4.46947 4.94719 5.31912 5.49574 5.67328 5.91352 6.14492 6.32272 6.44464 6.53582 6.61382 6.68934 6.76635 6.84163 6.91071 6.97012 7.01764 7.05257 7.075 7.08728 7.09123 7.087 7.07331 7.04839 7.01016 6.95597 6.88289 6.78778 6.6659 6.51356 6.3269 6.09212 5.75036 5.3299 4.78853 3.20555 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.8997489002328198e-20 5.699903593118399e-19 6.46733017903806e-19 7.16088040036398e-19 7.926272221958459e-19 8.522169777442079e-19 8.805146214539158e-19 9.08959665413952e-19 9.47450356869168e-19 9.845247241799278e-19 1.013011424732448e-18 1.0325451622541758e-18 1.047153808802988e-18 1.0596507865481879e-18 1.071750424488156e-18 1.08408878674659e-18 1.096149972447342e-18 1.107217808635014e-18 1.1167363400176078e-18 1.1243498833823759e-18 1.129946286364938e-18 1.133539968555e-18 1.135507441461552e-18 1.136140301231982e-18 1.1354625805158e-18 1.133269200703854e-18 1.129276576531926e-18 1.1231514552601439e-18 1.1144692600804979e-18 1.1027605532392259e-18 1.0875222512732518e-18 1.0679949224580599e-18 1.0435873636157039e-18 1.01368113456546e-18 9.76065231552408e-19 9.21309242908824e-19 8.5394412415566e-19 7.672070877208019e-19 5.1358573091187e-19 ] } }