{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0 0.869826 ] [ 0.75 0 0.130174 ] [ 0.75 0.5 0.369826 ] [ 0.25 0.5 0.630174 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0.480226 0 0.27147 ] [ 0.019774 0 0.27147 ] [ 0.75 0.286397 0.99558 ] [ 0.75 0.713603 0.99558 ] [ 0.25 0.286397 0.00442 ] [ 0.25 0.713603 0.00442 ] [ 0.980226 0 0.72853 ] [ 0.519774 0 0.72853 ] [ 0.980226 0.5 0.77147 ] [ 0.519774 0.5 0.77147 ] [ 0.25 0.786397 0.49558 ] [ 0.25 0.213603 0.49558 ] [ 0.75 0.786397 0.50442 ] [ 0.75 0.213603 0.50442 ] [ 0.480226 0.5 0.22853 ] [ 0.019774 0.5 0.22853 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Co" "Co" "Co" "Co" "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" 5.71878028 "source-unit" "angstrom" } "b" { "source-value" 5.96007722 "source-unit" "angstrom" } "c" { "source-value" 8.17200549 "source-unit" "angstrom" } }