{ "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" [ [ 0.006461 0.325161 0.592112 ] [ 0.506461 0.174839 0.907888 ] [ 0.493539 0.325161 0.407888 ] [ 0.993539 0.174839 0.092112 ] [ 0.993539 0.674839 0.407888 ] [ 0.493539 0.825161 0.092112 ] [ 0.506461 0.674839 0.592112 ] [ 0.006461 0.825161 0.907888 ] [ 0.75 0.492443 0.5 ] [ 0.25 0.007557 0 ] [ 0.25 0.507557 0.5 ] [ 0.75 0.992443 0 ] [ 0.103653 0.361605 0.28212 ] [ 0.603653 0.138395 0.21788 ] [ 0.396347 0.361605 0.71788 ] [ 0.896347 0.138395 0.78212 ] [ 0.75 0.501503 0 ] [ 0.25 0.998497 0.5 ] [ 0.25 0.498497 0 ] [ 0.75 0.001503 0.5 ] [ 0.103653 0.861605 0.21788 ] [ 0.603653 0.638395 0.28212 ] [ 0.396347 0.861605 0.78212 ] [ 0.896347 0.638395 0.71788 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "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" 6.29308475 "source-unit" "angstrom" } "b" { "source-value" 6.91205574 "source-unit" "angstrom" } "c" { "source-value" 13.55417966 "source-unit" "angstrom" } }