{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.027154 0.25 0.349851 ] [ 0.527154 0.75 0.150149 ] [ 0.972846 0.75 0.650149 ] [ 0.472846 0.25 0.849851 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.029452 0.75 0.324014 ] [ 0.529452 0.25 0.175986 ] [ 0.970548 0.25 0.675986 ] [ 0.470548 0.75 0.824014 ] [ 0.042426 0.75 0.152855 ] [ 0.542426 0.25 0.347145 ] [ 0.957574 0.25 0.847145 ] [ 0.457574 0.75 0.652855 ] [ 0.82966 0.068691 0.621644 ] [ 0.32966 0.931309 0.878356 ] [ 0.17034 0.568691 0.378356 ] [ 0.67034 0.431309 0.121644 ] [ 0.17034 0.931309 0.378356 ] [ 0.67034 0.068691 0.121644 ] [ 0.82966 0.431309 0.621644 ] [ 0.32966 0.568691 0.878356 ] [ 0.756345 0.75 0.879821 ] [ 0.256345 0.25 0.620179 ] [ 0.243655 0.25 0.120179 ] [ 0.743655 0.75 0.379821 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "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" 5.17240125 "source-unit" "angstrom" } "b" { "source-value" 6.98061633 "source-unit" "angstrom" } "c" { "source-value" 9.21375852 "source-unit" "angstrom" } }