{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.811969 ] [ 0.5 0 0.688031 ] [ 0 0.5 0.188031 ] [ 0.5 0 0.311969 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.038392 0.243133 0.5 ] [ 0.461608 0.743133 0 ] [ 0.961608 0.756867 0.5 ] [ 0.538392 0.256867 0 ] [ 0.311777 0.787648 0.134343 ] [ 0.811777 0.712352 0.365657 ] [ 0.311777 0.787648 0.865657 ] [ 0.688223 0.212352 0.865657 ] [ 0.811777 0.712352 0.634343 ] [ 0.188223 0.287648 0.634343 ] [ 0.25332 0.31809 0 ] [ 0.75332 0.18191 0.5 ] [ 0.24668 0.81809 0.5 ] [ 0.74668 0.68191 0 ] [ 0.688223 0.212352 0.134343 ] [ 0.188223 0.287648 0.365657 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "B" "B" "B" "B" "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" 4.69792438 "source-unit" "angstrom" } "b" { "source-value" 5.76365521 "source-unit" "angstrom" } "c" { "source-value" 8.83175317 "source-unit" "angstrom" } }