{ "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 0.162002 0.5 ] [ 0 0.837998 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.5 0.662002 0.5 ] [ 0.5 0.337998 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.177479 0 ] [ 0.5 0.822521 0 ] [ 0 0.677479 0 ] [ 0 0.322521 0 ] [ 0.265341 0 0.769532 ] [ 0.25128 0.829494 0.24544 ] [ 0.25128 0.170506 0.24544 ] [ 0.74872 0.170506 0.75456 ] [ 0.74872 0.829494 0.75456 ] [ 0.734659 0 0.230468 ] [ 0.765341 0.5 0.769532 ] [ 0.75128 0.329494 0.24544 ] [ 0.75128 0.670506 0.24544 ] [ 0.24872 0.670506 0.75456 ] [ 0.24872 0.329494 0.75456 ] [ 0.234659 0.5 0.230468 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Nb" "Nb" "Nb" "Nb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.13054193 "source-unit" "angstrom" } "b" { "source-value" 10.80233396 "source-unit" "angstrom" } "c" { "source-value" 6.4624688 "source-unit" "angstrom" } "beta" { "source-value" 108.86751053 "source-unit" "degree" } }