{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.169589 0.330411 0 ] [ 0.830411 0.330411 0.5 ] [ 0.830411 0.669589 0 ] [ 0.169589 0.669589 0.5 ] [ 0.669589 0.830411 0.5 ] [ 0.330411 0.830411 0 ] [ 0.330411 0.169589 0.5 ] [ 0.669589 0.169589 0 ] [ 0.5 0.5 0.25 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.5 0.5 0.75 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.95953336536 "source-unit" "angstrom" } "c" { "source-value" 4.26629869402 "source-unit" "angstrom" } }