{ "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 0.86973 0.820776 ] [ 0.25 0.13027 0.179224 ] [ 0.25 0.36973 0.679224 ] [ 0.75 0.63027 0.320776 ] [ 0.25 0.875142 0.537567 ] [ 0.75 0.124858 0.462433 ] [ 0.75 0.375142 0.962433 ] [ 0.25 0.624858 0.037567 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "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" 4.08211461 "source-unit" "angstrom" } "b" { "source-value" 5.38741041 "source-unit" "angstrom" } "c" { "source-value" 7.01255793 "source-unit" "angstrom" } }