{ "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" [ [ 0.25 0.377001 0.674749 ] [ 0.75 0.622999 0.325251 ] [ 0.75 0.877001 0.825251 ] [ 0.25 0.122999 0.174749 ] [ 0.25 0.885147 0.533297 ] [ 0.75 0.114853 0.466703 ] [ 0.75 0.385147 0.966703 ] [ 0.25 0.614853 0.033297 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "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" 2.98341879 "source-unit" "angstrom" } "b" { "source-value" 4.12349687 "source-unit" "angstrom" } "c" { "source-value" 5.46198735 "source-unit" "angstrom" } }