{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.586101 0 0.914177 ] [ 0.426419 0.5 0.096271 ] [ 0.070693 0.5 0.543361 ] [ 0.940849 0 0.144668 ] [ 0.547529 0 0.634539 ] [ 0.460396 0.5 0.36618 ] [ 0.060343 0.5 0.862437 ] [ 0.839942 0 0.773695 ] [ 0.776921 0.5 0.016693 ] [ 0.709394 0.5 0.525927 ] [ 0.635588 0 0.25538 ] [ 0.338023 0.5 0.728668 ] [ 0.28065 0 0.474293 ] [ 0.232173 0 0.983793 ] [ 0.155377 0.5 0.228719 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "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" 5.12622331 "source-unit" "angstrom" } "b" { "source-value" 2.9457333 "source-unit" "angstrom" } "c" { "source-value" 9.93246051 "source-unit" "angstrom" } "beta" { "source-value" 92.43715359 "source-unit" "degree" } }