{ "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" [ -3.7165210419711364e-20 -2.1599263460328958e-20 3.810793114339008e-20 9.399617755377025e-20 1.3540491297133248e-19 1.641542100373056e-19 1.858637032491456e-19 2.048639157952128e-19 2.231287292723328e-19 2.4148006028697604e-19 2.600925460908096e-19 2.7831249862254723e-19 2.955583277688384e-19 3.11479156849728e-19 3.2586990725775367e-19 3.3861842662945924e-19 3.496814561960832e-19 3.590541894277632e-19 3.6676065897381127e-19 3.7290821066782087e-19 3.777099340003584e-19 3.8134367057633285e-19 3.8363798749731844e-19 3.843365365039872e-19 3.840225098863104e-19 3.830355690878976e-19 3.812843900413632e-19 3.7866483126635526e-19 3.750407077501056e-19 3.7024379094743044e-19 3.640513783080384e-19 3.561766802168064e-19 3.4637616582737284e-19 3.3477480491616003e-19 3.2177634599160964e-19 3.0798961616962563e-19 2.9431984524096e-19 2.81999107027008e-19 2.7128054543385603e-19 2.574633742560768e-19 2.171365887105408e-19 1.1084867233965505e-19 ] } }