{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.337185 0.75 ] [ 0 0.662815 0.25 ] [ 0.5 0.837185 0.75 ] [ 0.5 0.162815 0.25 ] [ 0 0.35312 0.25 ] [ 0 0.64688 0.75 ] [ 0.5 0.85312 0.25 ] [ 0.5 0.14688 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.238349 0.028363 ] [ 0 0.238349 0.471637 ] [ 0.254623 0.980258 0.25 ] [ 0.254623 0.019742 0.75 ] [ 0.745377 0.980258 0.25 ] [ 0.745377 0.019742 0.75 ] [ 0 0.761651 0.528363 ] [ 0 0.761651 0.971637 ] [ 0.5 0.738349 0.028363 ] [ 0.5 0.738349 0.471637 ] [ 0.754623 0.480258 0.25 ] [ 0.754623 0.519742 0.75 ] [ 0.245377 0.480258 0.25 ] [ 0.245377 0.519742 0.75 ] [ 0.5 0.261651 0.528363 ] [ 0.5 0.261651 0.971637 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "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" 5.71886725 "source-unit" "angstrom" } "b" { "source-value" 8.71337779 "source-unit" "angstrom" } "c" { "source-value" 6.28091596 "source-unit" "angstrom" } }