{ "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 0.846179 0.810675 ] [ 0.75 0.153821 0.189325 ] [ 0.75 0.346179 0.689325 ] [ 0.25 0.653821 0.310675 ] [ 0.25 0.294579 0.94914 ] [ 0.75 0.705421 0.05086 ] [ 0.75 0.794579 0.55086 ] [ 0.25 0.205421 0.44914 ] [ 0.529927 0.815495 0.078926 ] [ 0.029927 0.184505 0.921074 ] [ 0.470073 0.315495 0.421074 ] [ 0.970073 0.684505 0.578926 ] [ 0.470073 0.184505 0.921074 ] [ 0.970073 0.815495 0.078926 ] [ 0.529927 0.684505 0.578926 ] [ 0.029927 0.315495 0.421074 ] [ 0.25 0.048332 0.352913 ] [ 0.75 0.951668 0.647087 ] [ 0.75 0.548332 0.147087 ] [ 0.25 0.451668 0.852913 ] [ 0.25 0.147743 0.600345 ] [ 0.75 0.852257 0.399655 ] [ 0.75 0.647743 0.899655 ] [ 0.25 0.352257 0.100345 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Mn" "Mn" "Mn" "Mn" "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" 6.0030159 "source-unit" "angstrom" } "b" { "source-value" 8.16277995 "source-unit" "angstrom" } "c" { "source-value" 10.22816261 "source-unit" "angstrom" } }