{ "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" [ 8.87288 8.278364 7.909906 7.642202 7.431819 7.258487 7.11109 6.982867 6.869399 6.767637 6.675392 6.591033 6.513319 6.441278 6.374138 6.311275 6.252176 6.196416 6.143637 6.093537 6.045857 6.000375 5.956895 5.91525 5.886899 5.857061 5.825571 5.792235 5.756824 5.719061 5.678613 5.635067 5.58791 5.536488 5.479952 5.417172 5.346596 5.266007 5.172088 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.87288e-10 8.278364e-10 7.909906000000001e-10 7.642202e-10 7.431819e-10 7.258487e-10 7.11109e-10 6.982867e-10 6.869399e-10 6.767637e-10 6.675392000000001e-10 6.591033e-10 6.513319e-10 6.441277999999999e-10 6.374138e-10 6.311275e-10 6.252176000000001e-10 6.196416e-10 6.143637e-10 6.093537000000001e-10 6.045857000000001e-10 6.000375000000001e-10 5.956895000000001e-10 5.915250000000001e-10 5.886899e-10 5.857061e-10 5.825571e-10 5.792235e-10 5.756824000000001e-10 5.719061e-10 5.678613e-10 5.635067e-10 5.58791e-10 5.536488000000001e-10 5.479952e-10 5.417172e-10 5.346596e-10 5.266007e-10 5.172087999999999e-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" [ 3.23051 3.51426 3.24628 3.1775 3.32168 3.54939 3.77639 3.9418 4.04371 4.12433 4.19018 4.24149 4.27925 4.30469 4.3215 4.33414 4.34587 4.36229 4.40365 4.48481 4.60356 4.733 4.8249 4.85388 4.84369 4.81961 4.78591 4.74291 4.69176 4.63334 4.56774 4.49291 4.40443 4.30312 4.19901 4.09805 3.9582 3.76213 2.20474 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.175847595260609e-19 5.630465211412608e-19 5.201113920570625e-19 5.090916212592001e-19 5.321918037778945e-19 5.686749676101312e-19 6.050443769022912e-19 6.315459803869441e-19 6.478737623295169e-19 6.607905102464063e-19 6.713408432943744e-19 6.795616115356992e-19 6.856114304558401e-19 6.896873677791552e-19 6.923806266787201e-19 6.944057779274111e-19 6.962851311036096e-19 6.989159051149632e-19 7.05542507618592e-19 7.185457730730049e-19 7.375716204450049e-19 7.5831019462464e-19 7.730341977697921e-19 7.7767730561687045e-19 7.760446876402752e-19 7.721866463373888e-19 7.667873111252929e-19 7.598979516558528e-19 7.517028182404609e-19 7.423429024217472e-19 7.318326237892992e-19 7.198435361358529e-19 7.0566747739501435e-19 6.894358260496897e-19 6.7275556525054085e-19 6.56579990086944e-19 6.341735500450561e-19 6.027596730410304e-19 3.5323828829425923e-19 ] } }