{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "I-43d" } "basis-atom-coordinates" { "source-value" [ [ 0.050449 0.050449 0.050449 ] [ 0.800449 0.199551 0.699551 ] [ 0.699551 0.800449 0.199551 ] [ 0.199551 0.699551 0.800449 ] [ 0.949551 0.550449 0.449551 ] [ 0.449551 0.949551 0.550449 ] [ 0.550449 0.449551 0.949551 ] [ 0.800449 0.800449 0.800449 ] [ 0.550449 0.550449 0.550449 ] [ 0.300449 0.699551 0.199551 ] [ 0.199551 0.300449 0.699551 ] [ 0.699551 0.199551 0.300449 ] [ 0.449551 0.050449 0.949551 ] [ 0.949551 0.449551 0.050449 ] [ 0.050449 0.949551 0.449551 ] [ 0.300449 0.300449 0.300449 ] [ 0.793136 0.5 0.75 ] [ 0.75 0.956864 0.5 ] [ 0.75 0.043136 0 ] [ 0 0.75 0.043136 ] [ 0.5 0.75 0.956864 ] [ 0.956864 0.5 0.75 ] [ 0 0.75 0.206864 ] [ 0.75 0.206864 0 ] [ 0.5 0.75 0.793136 ] [ 0.75 0.793136 0.5 ] [ 0.206864 0 0.75 ] [ 0.043136 0 0.75 ] [ 0.293136 0 0.25 ] [ 0.25 0.456864 0 ] [ 0.25 0.543136 0.5 ] [ 0.5 0.25 0.543136 ] [ 0 0.25 0.456864 ] [ 0.456864 0 0.25 ] [ 0.5 0.25 0.706864 ] [ 0.25 0.706864 0.5 ] [ 0 0.25 0.293136 ] [ 0.25 0.293136 0 ] [ 0.706864 0.5 0.25 ] [ 0.543136 0.5 0.25 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" 8.18936424719 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.634069888000001 "source-unit" "eV" } }