{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnab" } "basis-atom-coordinates" { "source-value" [ [ 0.992407 0.327636 0.591826 ] [ 0.492407 0.172364 0.908174 ] [ 0.507593 0.327636 0.408174 ] [ 0.007593 0.172364 0.091826 ] [ 0.007593 0.672364 0.408174 ] [ 0.507593 0.827636 0.091826 ] [ 0.492407 0.672364 0.591826 ] [ 0.992407 0.827636 0.908174 ] [ 0.75 0.509991 0.5 ] [ 0.25 0.990009 0 ] [ 0.25 0.490009 0.5 ] [ 0.75 0.009991 0 ] [ 0.110768 0.134794 0.779429 ] [ 0.610768 0.365206 0.720571 ] [ 0.389232 0.134794 0.220571 ] [ 0.889232 0.365206 0.279429 ] [ 0.75 0.502617 0 ] [ 0.25 0.997383 0.5 ] [ 0.25 0.497383 0 ] [ 0.75 0.002617 0.5 ] [ 0.110768 0.634794 0.720571 ] [ 0.610768 0.865206 0.779429 ] [ 0.389232 0.634794 0.279429 ] [ 0.889232 0.865206 0.220571 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "N" "N" "N" "N" "Cl" "Cl" "Cl" "Cl" "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" 6.17203263 "source-unit" "angstrom" } "b" { "source-value" 6.77507805 "source-unit" "angstrom" } "c" { "source-value" 13.15226621 "source-unit" "angstrom" } }