{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" ] } "a" { "source-value" [ 7.76403 7.243811 6.921401 6.687152 6.503061 6.351391 6.222414 6.110215 6.010927 5.921883 5.841165 5.767349 5.699347 5.636309 5.57756 5.522553 5.47084 5.422048 5.375865 5.332026 5.290305 5.250506 5.212461 5.17602 5.151212 5.125103 5.097548 5.068379 5.037393 5.004349 4.968956 4.930852 4.889589 4.844593 4.795123 4.740189 4.678432 4.607915 4.525734 4.427251 4.304358 4.14082 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.764030000000001e-10 7.243811000000001e-10 6.921401000000001e-10 6.687152000000001e-10 6.503061e-10 6.351391e-10 6.222413999999999e-10 6.110215000000001e-10 6.010927e-10 5.921883000000001e-10 5.841165000000001e-10 5.767349e-10 5.699347000000001e-10 5.636309e-10 5.57756e-10 5.522553000000001e-10 5.47084e-10 5.422048e-10 5.375865e-10 5.332026e-10 5.290305e-10 5.250505999999999e-10 5.212461e-10 5.176020000000001e-10 5.151212e-10 5.125103e-10 5.097548e-10 5.068379e-10 5.037393e-10 5.004349e-10 4.968956000000001e-10 4.930852e-10 4.889589e-10 4.844593e-10 4.795123e-10 4.740189e-10 4.678432e-10 4.6079150000000003e-10 4.525734e-10 4.427251e-10 4.3043579999999997e-10 4.14082e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.10384 1.50984 1.80973 2.04828 2.24521 2.4114 2.55362 2.67645 2.78315 2.87616 2.95734 3.02817 3.08983 3.14332 3.18943 3.22886 3.26218 3.28992 3.31249 3.33029 3.34366 3.35289 3.35826 3.36 3.35916 3.35642 3.35136 3.34346 3.33205 3.31628 3.29502 3.26678 3.22953 3.18047 3.11561 3.02908 2.91195 2.74995 2.51883 2.17399 1.62353 0.642929 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.768546641103872e-19 2.419030349148672e-19 2.8995070959603844e-19 3.2817063288522246e-19 3.5972229707863683e-19 3.8634887033971204e-19 4.0913502624072963e-19 4.2881456167401602e-19 4.4590978621795205e-19 4.608116309680129e-19 4.738181007756672e-19 4.851663177807936e-19 4.950453388246464e-19 5.036153815693056e-19 5.110030179678144e-19 5.173204003836289e-19 5.226588528841344e-19 5.271032908302336e-19 5.307194034633792e-19 5.335712778484033e-19 5.357133879904128e-19 5.371921970114112e-19 5.380525658567808e-19 5.383313445888e-19 5.381967617526529e-19 5.377577653585536e-19 5.369470639884288e-19 5.356813444579968e-19 5.338532609336641e-19 5.313266284026625e-19 5.279204009068416e-19 5.233958541297024e-19 5.174277462172224e-19 5.095674677155776e-19 4.991757501530689e-19 4.853121158532864e-19 4.665458210938561e-19 4.405905598368961e-19 4.035610537769664e-19 3.4831159518529918e-19 2.601181809167424e-19 1.0300858126343232e-19 ] } }