{ "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 0 0 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.75 0.33137 0.226212 ] [ 0.25 0.16863 0.726212 ] [ 0.75 0.83137 0.273788 ] [ 0.25 0.66863 0.773788 ] [ 0.75 0.625009 0.87549 ] [ 0.75 0.125009 0.62451 ] [ 0.25 0.874991 0.37549 ] [ 0.25 0.374991 0.12451 ] [ 0.75 0.813967 0.002725 ] [ 0.95437 0.627962 0.73575 ] [ 0.45437 0.372038 0.26425 ] [ 0.04563 0.872038 0.23575 ] [ 0.54563 0.127962 0.76425 ] [ 0.04563 0.372038 0.26425 ] [ 0.54563 0.627962 0.73575 ] [ 0.95437 0.127962 0.76425 ] [ 0.75 0.114175 0.172027 ] [ 0.25 0.885825 0.827973 ] [ 0.25 0.385825 0.672027 ] [ 0.75 0.614175 0.327973 ] [ 0.45437 0.872038 0.23575 ] [ 0.25 0.186033 0.997275 ] [ 0.25 0.56479 0.006097 ] [ 0.75 0.313967 0.497275 ] [ 0.25 0.06479 0.493903 ] [ 0.75 0.93521 0.506097 ] [ 0.75 0.43521 0.993903 ] [ 0.25 0.686033 0.502725 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "As" "As" "As" "As" "O" "O" "O" "O" "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" 6.58791948 "source-unit" "angstrom" } "b" { "source-value" 7.58674137 "source-unit" "angstrom" } "c" { "source-value" 7.63337043 "source-unit" "angstrom" } }