{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.473412 ] [ 0.5 0.5 0.526588 ] [ 0 0.5 0.256896 ] [ 0.5 0 0.743104 ] [ 0.5 0 0.193941 ] [ 0 0.5 0.806059 ] [ 0.713354 0.172198 0.608674 ] [ 0.213354 0.327802 0.391326 ] [ 0.786646 0.672198 0.391326 ] [ 0.286646 0.827802 0.608674 ] [ 0.754677 0.184255 0.293667 ] [ 0.254677 0.315745 0.706333 ] [ 0.160221 0.705969 0.917796 ] [ 0.660221 0.794031 0.082204 ] [ 0.339779 0.205969 0.082204 ] [ 0.839779 0.294031 0.917796 ] [ 0.245323 0.815745 0.293667 ] [ 0.745323 0.684255 0.706333 ] ] } "species" { "source-value" [ "Mn" "Mn" "Te" "Te" "Mo" "Mo" "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" 5.18147353 "source-unit" "angstrom" } "b" { "source-value" 5.40478414 "source-unit" "angstrom" } "c" { "source-value" 9.35468238 "source-unit" "angstrom" } }