{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.12989 0.25 ] [ 0 0.622092 0.25 ] [ 0 0.377908 0.75 ] [ 0 0.87011 0.75 ] [ 0.5 0.875759 0.25 ] [ 0.5 0.124241 0.75 ] [ 0.5 0.37695 0.25 ] [ 0.5 0.62305 0.75 ] [ 0.27187 0.131023 0.006892 ] [ 0.276464 0.62476 0.010212 ] [ 0.723536 0.37524 0.989788 ] [ 0.276464 0.37524 0.510212 ] [ 0.72813 0.868977 0.993108 ] [ 0.72813 0.131023 0.493108 ] [ 0.27187 0.868977 0.506892 ] [ 0.723536 0.62476 0.489788 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "Cr" "Cr" "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" 5.14486327 "source-unit" "angstrom" } "b" { "source-value" 6.00266496 "source-unit" "angstrom" } "c" { "source-value" 5.14759746 "source-unit" "angstrom" } "beta" { "source-value" 108.99585102 "source-unit" "degree" } }