{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1ma" } "basis-atom-coordinates" { "source-value" [ [ 0.249811 0.248741 0.000212 ] [ 0.249811 0.751259 0.000212 ] [ 0.750189 0.248741 0.500212 ] [ 0.750189 0.751259 0.500212 ] [ 0.772414 0.5 0.218556 ] [ 0.227586 0.5 0.718556 ] [ 0.27394 0 0.281556 ] [ 0.72606 0 0.781556 ] [ 0.834259 0 0.094132 ] [ 0.331228 0.5 0.406193 ] [ 0.165741 0 0.594132 ] [ 0.668772 0.5 0.906193 ] [ 0.539932 0.5 0.042167 ] [ 0.512297 0 0.097206 ] [ 0.969661 0.200955 0.163947 ] [ 0.969661 0.799045 0.163947 ] [ 0.460771 0.702645 0.335298 ] [ 0.460771 0.297355 0.335298 ] [ 0.009612 0.5 0.405013 ] [ 0.044188 0 0.456251 ] [ 0.460068 0.5 0.542167 ] [ 0.487703 0 0.597206 ] [ 0.030339 0.200955 0.663947 ] [ 0.030339 0.799045 0.663947 ] [ 0.539229 0.702645 0.835298 ] [ 0.539229 0.297355 0.835298 ] [ 0.990388 0.5 0.905013 ] [ 0.955812 0 0.956251 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Fe" "Fe" "P" "P" "P" "P" "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" 4.77477674 "source-unit" "angstrom" } "b" { "source-value" 6.12919548 "source-unit" "angstrom" } "c" { "source-value" 10.50373916 "source-unit" "angstrom" } }