{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.996202 0.263838 ] [ 0.75 0.003798 0.736162 ] [ 0.25 0.496202 0.236162 ] [ 0.75 0.503798 0.763838 ] [ 0.75 0.311309 0.463367 ] [ 0.75 0.811309 0.036633 ] [ 0.25 0.188691 0.963367 ] [ 0.25 0.688691 0.536633 ] [ 0.25 0.753779 0.175513 ] [ 0.75 0.246221 0.824487 ] [ 0.75 0.550511 0.382294 ] [ 0.75 0.746221 0.675513 ] [ 0.25 0.449489 0.617706 ] [ 0.25 0.253779 0.324487 ] [ 0.75 0.050511 0.117706 ] [ 0.25 0.949489 0.882294 ] [ 0.75 0.435836 0.114176 ] [ 0.75 0.935836 0.385824 ] [ 0.25 0.564164 0.885824 ] [ 0.25 0.064164 0.614176 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" "S" "S" "S" "S" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.82151103 "source-unit" "angstrom" } "b" { "source-value" 9.57198136 "source-unit" "angstrom" } "c" { "source-value" 12.36707541 "source-unit" "angstrom" } }