{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.867956 0.820239 ] [ 0.25 0.367956 0.679761 ] [ 0.25 0.132044 0.179761 ] [ 0.75 0.632044 0.320239 ] [ 0.75 0.377064 0.963922 ] [ 0.25 0.877064 0.536078 ] [ 0.25 0.622936 0.036078 ] [ 0.75 0.122936 0.463922 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.13124503261 "source-unit" "angstrom" } "b" { "source-value" 5.48143106 "source-unit" "angstrom" } "c" { "source-value" 7.14549768429 "source-unit" "angstrom" } }