{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" [ 10.9893 10.252982 9.796642 9.465087 9.204524 8.98985 8.807296 8.64849 8.507958 8.381925 8.267677 8.163198 8.066947 7.977724 7.89457 7.816713 7.743518 7.674458 7.609091 7.547041 7.487989 7.431658 7.377808 7.32623 7.291116 7.254161 7.215159 7.173871 7.130013 7.083243 7.033146 6.979213 6.920808 6.85712 6.787098 6.709343 6.621931 6.522119 6.405798 6.266402 6.092456 5.86098 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.09893e-09 1.0252982e-09 9.796642e-10 9.465087e-10 9.204524e-10 8.989850000000001e-10 8.807296e-10 8.648490000000001e-10 8.507958000000001e-10 8.381925000000002e-10 8.267677000000001e-10 8.163198e-10 8.066947000000001e-10 7.977724000000001e-10 7.894570000000001e-10 7.816713000000001e-10 7.743518e-10 7.674458e-10 7.609091e-10 7.547041000000001e-10 7.487989e-10 7.431658e-10 7.377808000000001e-10 7.32623e-10 7.291116e-10 7.254161000000001e-10 7.215159e-10 7.173871e-10 7.130013e-10 7.083243e-10 7.033146e-10 6.979213e-10 6.920808e-10 6.85712e-10 6.787098000000001e-10 6.709343e-10 6.621931e-10 6.522119000000001e-10 6.405798e-10 6.266402000000001e-10 6.092456000000001e-10 5.86098e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ -0.231967 -0.134812 0.237851 0.586678 0.845131 1.02457 1.16007 1.27866 1.39266 1.5072 1.62337 1.73709 1.84473 1.9441 2.03392 2.11349 2.18254 2.24104 2.28914 2.32751 2.35748 2.38016 2.39448 2.39884 2.39688 2.39072 2.37979 2.36344 2.34082 2.31088 2.27223 2.22308 2.16191 2.0895 2.00837 1.92232 1.837 1.7601 1.6932 1.60696 1.35526 0.691863 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -3.71652107259078e-20 -2.1599263638280796e-20 3.81079314573534e-20 9.39961783281852e-20 1.3540491408690537e-19 1.64154211389738e-19 1.8586370478043798e-19 2.0486391748304397e-19 2.23128731110644e-19 2.4148006227648e-19 2.60092548233658e-19 2.7831250091550597e-19 2.95558330203882e-19 3.1147915941594e-19 3.25869909942528e-19 3.38618429419266e-19 3.4968145907703597e-19 3.59054192385936e-19 3.66760661995476e-19 3.72908213740134e-19 3.7770993711223195e-19 3.8134367371814397e-19 3.83637990658032e-19 3.8433653967045593e-19 3.8402251305019195e-19 3.8303557224364795e-19 3.8128439318268594e-19 3.78664834386096e-19 3.75040710839988e-19 3.70243793997792e-19 3.6405138130738196e-19 3.5617668315127195e-19 3.46376168681094e-19 3.347748076743e-19 3.2177634864265803e-19 3.0798961870708797e-19 2.943198476658e-19 2.8199910935033996e-19 2.7128054766887997e-19 2.57463376377264e-19 2.17136590499484e-19 1.108486732529142e-19 ] } }