{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.249505 0.5 0.253601 ] [ 0 0.5 0.5 ] [ 0.750495 0.5 0.746399 ] [ 0.5 0.5 0 ] [ 0.749505 0 0.253601 ] [ 0.5 0 0.5 ] [ 0.250495 0 0.746399 ] [ 0.87486 0.5 0.124973 ] [ 0.12514 0.5 0.875027 ] [ 0.37486 0 0.124973 ] [ 0.62514 0 0.875027 ] [ 0.87512 0 0.625066 ] [ 0.12488 0 0.374934 ] [ 0.37512 0.5 0.625066 ] [ 0.62488 0.5 0.374934 ] [ 0.931467 0 0.312704 ] [ 0.18163 0 0.063445 ] [ 0.068198 0.5 0.193206 ] [ 0.181528 0.5 0.556202 ] [ 0.818472 0.5 0.443798 ] [ 0.81837 0 0.936555 ] [ 0.068533 0 0.687296 ] [ 0.931802 0.5 0.806794 ] [ 0.431467 0.5 0.312704 ] [ 0.68163 0.5 0.063445 ] [ 0.568198 0 0.193206 ] [ 0.681528 0 0.556202 ] [ 0.318472 0 0.443798 ] [ 0.31837 0.5 0.936555 ] [ 0.568533 0.5 0.687296 ] [ 0.431802 0 0.806794 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "Cr" "Cr" "Cr" "Cr" "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" 19.57978339 "source-unit" "angstrom" } "b" { "source-value" 2.97074974 "source-unit" "angstrom" } "c" { "source-value" 5.22363297 "source-unit" "angstrom" } "beta" { "source-value" 95.61898186 "source-unit" "degree" } }