{ "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 7.274086 7.220352 7.164926 7.1077 7.048553 6.98735 6.923944 6.85817 6.789845 6.718763 6.644691 6.567368 6.486494 6.401728 6.312675 6.21888 6.119809 6.014832 5.903201 5.784014 5.656175 5.518327 5.368769 5.205326 5.025152 4.824429 4.597859 4.337785 4.032551 3.66311 ] "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 7.274085999999999e-10 7.220352e-10 7.164926000000001e-10 7.1077e-10 7.048553e-10 6.987350000000001e-10 6.923944e-10 6.858170000000001e-10 6.789845e-10 6.718763e-10 6.644691e-10 6.567368000000001e-10 6.486494e-10 6.401728e-10 6.312675e-10 6.218880000000001e-10 6.119809000000001e-10 6.014832000000001e-10 5.903201e-10 5.784014e-10 5.656175000000001e-10 5.518327000000001e-10 5.368769000000001e-10 5.205326000000001e-10 5.025152000000001e-10 4.824429e-10 4.597859e-10 4.337785e-10 4.032551e-10 3.66311e-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 2.39456 2.3815 2.35926 2.32728 2.28484 2.23099 2.16536 2.09072 2.01152 1.93233 1.85774 1.79214 1.73774 1.69108 1.64337 1.55608 1.40677 1.18235 0.848357 0.366384 -0.274253 -1.05648 -2.05436 -3.64346 -6.42694 -11.7215 -20.2496 -34.047 -63.888 -123.684 ] "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 3.8365080807110392e-19 3.8155836538709995e-19 3.7799512455308396e-19 3.7287136367755196e-19 3.6607172604285595e-19 3.5744400486876594e-19 3.46928919619824e-19 3.34970273223648e-19 3.2228103428236796e-19 3.09593397517722e-19 2.9764276200471595e-19 2.8713248328567597e-19 2.78416642396716e-19 2.7094088622247195e-19 2.63296901501658e-19 2.49311501663472e-19 2.25389402341218e-19 1.8943335432099e-19 1.359217762690338e-19 5.87011883871456e-20 -4.39401748404402e-20 -1.69266757028832e-19 -3.29144758982424e-19 -5.83746647891364e-19 -1.029709309611996e-18 -1.8779913415431e-18 -3.24434359678464e-18 -5.454930785779799e-18 -1.0235986079299199e-17 -1.9816361479965597e-17 ] } }