{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.50888 0.875417 0.24978 ] [ 0.50888 0.124583 0.24978 ] [ 0.002264 0 0.733351 ] [ 0.00888 0.375417 0.24978 ] [ 0.00888 0.624583 0.24978 ] [ 0.502264 0.5 0.733351 ] [ 0.049171 0.21759 0.297346 ] [ 0.049171 0.78241 0.297346 ] [ 0.549171 0.71759 0.297346 ] [ 0.549171 0.28241 0.297346 ] [ 0.447472 0.760376 0.695173 ] [ 0.00591 0.122089 0.252064 ] [ 0.447472 0.239624 0.695173 ] [ 0.00591 0.877911 0.252064 ] [ 0.504464 0 0.748415 ] [ 0.947472 0.260376 0.695173 ] [ 0.50591 0.622089 0.252064 ] [ 0.947472 0.739624 0.695173 ] [ 0.50591 0.377911 0.252064 ] [ 0.004464 0.5 0.748415 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Li" "Li" "Li" "Li" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.24619028608 "source-unit" "angstrom" } "b" { "source-value" 24.5773080432 "source-unit" "angstrom" } "c" { "source-value" 4.24376133864 "source-unit" "angstrom" } "beta" { "source-value" 125.822662247 "source-unit" "degree" } }