{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.738769 0.146335 0.34901 ] [ 0.738769 0.146335 0.65099 ] [ 0.238769 0.353665 0.84901 ] [ 0.261231 0.853665 0.34901 ] [ 0.761231 0.646335 0.15099 ] [ 0.261231 0.853665 0.65099 ] [ 0.238769 0.353665 0.15099 ] [ 0.761231 0.646335 0.84901 ] [ 0.210565 0.905674 0.20753 ] [ 0.710565 0.594326 0.70753 ] [ 0.173064 0.286395 0 ] [ 0.210565 0.905674 0.79247 ] [ 0.289435 0.405674 0.29247 ] [ 0.326936 0.786395 0.5 ] [ 0.289435 0.405674 0.70753 ] [ 0.789435 0.094326 0.79247 ] [ 0.826936 0.713605 0 ] [ 0.789435 0.094326 0.20753 ] [ 0.673064 0.213605 0.5 ] [ 0.710565 0.594326 0.29247 ] ] } "species" { "source-value" [ "Mn" "Mn" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.26153272 "source-unit" "angstrom" } "b" { "source-value" 7.44340948 "source-unit" "angstrom" } "c" { "source-value" 7.52122662 "source-unit" "angstrom" } }