{ "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 0.665773 0.451261 ] [ 0.75 0.334227 0.548739 ] [ 0.25 0.165773 0.048739 ] [ 0.75 0.834227 0.951261 ] [ 0.25 0.022803 0.672607 ] [ 0.75 0.977197 0.327393 ] [ 0.25 0.522803 0.827393 ] [ 0.75 0.477197 0.172607 ] [ 0.25 0.509444 0.604693 ] [ 0.75 0.490556 0.395307 ] [ 0.25 0.009444 0.895307 ] [ 0.75 0.990556 0.104693 ] [ 0.25 0.669039 0.009648 ] [ 0.75 0.330961 0.990352 ] [ 0.25 0.169039 0.490352 ] [ 0.75 0.830961 0.509648 ] [ 0.75 0.727395 0.786431 ] [ 0.25 0.272605 0.213569 ] [ 0.75 0.227395 0.713569 ] [ 0.25 0.772605 0.286431 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Pb" "Pb" "Pb" "Pb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.81662591 "source-unit" "angstrom" } "b" { "source-value" 9.22525494 "source-unit" "angstrom" } "c" { "source-value" 14.17110881 "source-unit" "angstrom" } }