{ "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" [ [ 0.179864 0.996224 0.412265 ] [ 0.320136 0.503776 0.912265 ] [ 0.179864 0.503776 0.412265 ] [ 0.679864 0.496224 0.087735 ] [ 0.820136 0.496224 0.587735 ] [ 0.679864 0.003776 0.087735 ] [ 0.820136 0.003776 0.587735 ] [ 0.320136 0.996224 0.912265 ] [ 0.322032 0.75 0.665761 ] [ 0.177968 0.75 0.165761 ] [ 0.822032 0.25 0.834239 ] [ 0.677968 0.25 0.334239 ] [ 0.827559 0.75 0.838632 ] [ 0.672441 0.75 0.338632 ] [ 0.327559 0.25 0.661368 ] [ 0.172441 0.25 0.161368 ] [ 0.714283 0.962211 0.90817 ] [ 0.785717 0.962211 0.40817 ] [ 0.152205 0.75 0.841683 ] [ 0.768412 0.75 0.192593 ] [ 0.731588 0.75 0.692593 ] [ 0.347795 0.75 0.341683 ] [ 0.714283 0.537789 0.90817 ] [ 0.785717 0.537789 0.40817 ] [ 0.214283 0.462211 0.59183 ] [ 0.285717 0.462211 0.09183 ] [ 0.652205 0.25 0.658317 ] [ 0.268412 0.25 0.307407 ] [ 0.847795 0.25 0.158317 ] [ 0.231588 0.25 0.807407 ] [ 0.214283 0.037789 0.59183 ] [ 0.285717 0.037789 0.09183 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Si" "Si" "Si" "Si" "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" 5.09793309 "source-unit" "angstrom" } "b" { "source-value" 6.37821786 "source-unit" "angstrom" } "c" { "source-value" 10.91000514 "source-unit" "angstrom" } }