{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.909941 0.888728 0.899574 ] [ 0.090059 0.111272 0.100426 ] [ 0.409941 0.611272 0.899574 ] [ 0.590059 0.388728 0.100426 ] [ 0.602025 0.262308 0.660194 ] [ 0.397975 0.737692 0.339806 ] [ 0.102025 0.237692 0.660194 ] [ 0.897975 0.762308 0.339806 ] [ 0.40834 0.89296 0.17579 ] [ 0.59166 0.10704 0.82421 ] [ 0.09166 0.39296 0.82421 ] [ 0.90834 0.60704 0.17579 ] [ 0.052877 0.173957 0.909337 ] [ 0.72921 0.007577 0.852232 ] [ 0.947123 0.826043 0.090663 ] [ 0.984037 0.589354 0.809047 ] [ 0.552877 0.326043 0.909337 ] [ 0.447123 0.673957 0.090663 ] [ 0.515963 0.089354 0.190953 ] [ 0.22921 0.492423 0.852232 ] [ 0.484037 0.910646 0.809047 ] [ 0.27079 0.992423 0.147768 ] [ 0.015963 0.410646 0.190953 ] [ 0.77079 0.507577 0.147768 ] [ 0.303231 0.544519 0.337722 ] [ 0.86245 0.583225 0.429163 ] [ 0.696769 0.455481 0.662278 ] [ 0.63755 0.083225 0.570837 ] [ 0.36245 0.916775 0.429163 ] [ 0.196769 0.044519 0.662278 ] [ 0.022975 0.864411 0.372405 ] [ 0.13755 0.416775 0.570837 ] [ 0.477025 0.364411 0.627595 ] [ 0.977025 0.135589 0.627595 ] [ 0.803231 0.955481 0.337722 ] [ 0.522975 0.635589 0.372405 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "C" "C" "C" "C" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "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" 9.67563817416 "source-unit" "angstrom" } "b" { "source-value" 5.11919869 "source-unit" "angstrom" } "c" { "source-value" 10.3085169269 "source-unit" "angstrom" } "beta" { "source-value" 90.9469077604 "source-unit" "degree" } }