{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.538763 0.25 0.177902 ] [ 0.961237 0.25 0.677902 ] [ 0.038763 0.75 0.322098 ] [ 0.461237 0.75 0.822098 ] [ 0.685649 0.056445 0.124466 ] [ 0.814351 0.056445 0.624466 ] [ 0.235369 0.25 0.123738 ] [ 0.568409 0.25 0.362332 ] [ 0.264631 0.25 0.623738 ] [ 0.931591 0.25 0.862332 ] [ 0.685649 0.443555 0.124466 ] [ 0.814351 0.443555 0.624466 ] [ 0.185649 0.556445 0.375534 ] [ 0.314351 0.556445 0.875534 ] [ 0.068409 0.75 0.137668 ] [ 0.735369 0.75 0.376262 ] [ 0.431591 0.75 0.637668 ] [ 0.764631 0.75 0.876262 ] [ 0.185649 0.943555 0.375534 ] [ 0.314351 0.943555 0.875534 ] ] } "species" { "source-value" [ "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" 4.81662119 "source-unit" "angstrom" } "b" { "source-value" 6.6480277 "source-unit" "angstrom" } "c" { "source-value" 8.61418848 "source-unit" "angstrom" } }