{ "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" [ [ 0.75 0.955311 0.004529 ] [ 0.25 0.044689 0.995471 ] [ 0.75 0.455311 0.495471 ] [ 0.25 0.544689 0.504529 ] [ 0.25 0.93998 0.545009 ] [ 0.75 0.06002 0.454991 ] [ 0.25 0.43998 0.954991 ] [ 0.75 0.56002 0.045009 ] [ 0.531552 0.221545 0.842304 ] [ 0.031552 0.778455 0.157696 ] [ 0.968448 0.721545 0.657696 ] [ 0.468448 0.278455 0.342304 ] [ 0.468448 0.778455 0.157696 ] [ 0.968448 0.221545 0.842304 ] [ 0.031552 0.278455 0.342304 ] [ 0.531552 0.721545 0.657696 ] [ 0.941958 0.984394 0.143957 ] [ 0.553642 0.189004 0.517422 ] [ 0.446358 0.310996 0.017422 ] [ 0.946358 0.689004 0.982578 ] [ 0.441958 0.015606 0.856043 ] [ 0.053642 0.810996 0.482578 ] [ 0.058042 0.515606 0.643957 ] [ 0.558042 0.484394 0.356043 ] [ 0.25 0.82152 0.030421 ] [ 0.75 0.17848 0.969579 ] [ 0.25 0.32152 0.469579 ] [ 0.75 0.67848 0.530421 ] [ 0.946358 0.189004 0.517422 ] [ 0.446358 0.810996 0.482578 ] [ 0.553642 0.689004 0.982578 ] [ 0.053642 0.310996 0.017422 ] [ 0.441958 0.515606 0.643957 ] [ 0.941958 0.484394 0.356043 ] [ 0.058042 0.015606 0.856043 ] [ 0.558042 0.984394 0.143957 ] [ 0.75 0.984227 0.654251 ] [ 0.25 0.015773 0.345749 ] [ 0.25 0.78579 0.728878 ] [ 0.25 0.515773 0.154251 ] [ 0.75 0.71421 0.228878 ] [ 0.25 0.28579 0.771122 ] [ 0.75 0.21421 0.271122 ] [ 0.75 0.484227 0.845749 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "Cl" "Cl" "Cl" "Cl" "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" 9.56520405 "source-unit" "angstrom" } "b" { "source-value" 11.20718614 "source-unit" "angstrom" } "c" { "source-value" 12.05958025 "source-unit" "angstrom" } }