{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.230517 0.5 0.194017 ] [ 0.972429 0.753485 0.205481 ] [ 0.972429 0.246515 0.205481 ] [ 0.756038 0.5 0.224483 ] [ 0.243962 0.5 0.775517 ] [ 0.027571 0.753485 0.794519 ] [ 0.027571 0.246515 0.794519 ] [ 0.769483 0.5 0.805983 ] [ 0.730517 0 0.194017 ] [ 0.472429 0.253485 0.205481 ] [ 0.472429 0.746515 0.205481 ] [ 0.256038 0 0.224483 ] [ 0.743962 0 0.775517 ] [ 0.527571 0.253485 0.794519 ] [ 0.527571 0.746515 0.794519 ] [ 0.269483 0 0.805983 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Ni" "Ni" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.33851907 "source-unit" "angstrom" } "b" { "source-value" 5.80491761 "source-unit" "angstrom" } "c" { "source-value" 5.94482086 "source-unit" "angstrom" } "beta" { "source-value" 123.25927295 "source-unit" "degree" } }