{ "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 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.010188 0.75 0.723359 ] [ 0.989812 0.25 0.276641 ] [ 0.489812 0.75 0.223359 ] [ 0.510188 0.25 0.776641 ] [ 0.070966 0.25 0.590869 ] [ 0.429034 0.25 0.090869 ] [ 0.929034 0.75 0.409131 ] [ 0.570966 0.75 0.909131 ] [ 0.771045 0.25 0.093512 ] [ 0.221778 0.464613 0.665513 ] [ 0.721778 0.535387 0.834487 ] [ 0.778222 0.964613 0.334487 ] [ 0.278222 0.035387 0.165513 ] [ 0.778222 0.535387 0.334487 ] [ 0.278222 0.464613 0.165513 ] [ 0.221778 0.035387 0.665513 ] [ 0.228955 0.75 0.906488 ] [ 0.728955 0.25 0.593512 ] [ 0.721778 0.964613 0.834487 ] [ 0.271045 0.75 0.406488 ] [ 0.714993 0.75 0.052717 ] [ 0.285007 0.25 0.947283 ] [ 0.214993 0.25 0.447283 ] [ 0.785007 0.75 0.552717 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "As" "As" "As" "As" "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" 4.9992951 "source-unit" "angstrom" } "b" { "source-value" 6.24638934 "source-unit" "angstrom" } "c" { "source-value" 10.91589838 "source-unit" "angstrom" } }