{ "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" [ [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0.319882 0.5 ] [ 0.5 0.180118 0.5 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0.5 0.819882 0.5 ] [ 0 0.680118 0.5 ] [ 0 0.180421 0 ] [ 0.5 0.319579 0 ] [ 0.5 0.680421 0 ] [ 0 0.819579 0 ] [ 0.763942 0.172288 0.234095 ] [ 0.236058 0.172288 0.765905 ] [ 0.736058 0.327712 0.765905 ] [ 0.263942 0.327712 0.234095 ] [ 0.263942 0.672288 0.234095 ] [ 0.736058 0.672288 0.765905 ] [ 0.236058 0.827712 0.765905 ] [ 0.763942 0.827712 0.234095 ] [ 0.744592 0.5 0.248526 ] [ 0.255408 0.5 0.751474 ] [ 0.244592 0 0.248526 ] [ 0.755408 0 0.751474 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.08945919 "source-unit" "angstrom" } "b" { "source-value" 9.15118465 "source-unit" "angstrom" } "c" { "source-value" 5.08226553 "source-unit" "angstrom" } "beta" { "source-value" 105.65663004 "source-unit" "degree" } }