{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.238965 0.091942 ] [ 0.25 0.738965 0.408058 ] [ 0.75 0.261035 0.591942 ] [ 0.25 0.761035 0.908058 ] [ 0.75 0.742583 0.156789 ] [ 0.25 0.242583 0.343211 ] [ 0.75 0.757417 0.656789 ] [ 0.25 0.257417 0.843211 ] [ 0.25 0.349626 0.017051 ] [ 0.25 0.861468 0.05917 ] [ 0.25 0.596129 0.154404 ] [ 0.25 0.132826 0.169965 ] [ 0.75 0.349249 0.238598 ] [ 0.25 0.849249 0.261402 ] [ 0.75 0.632826 0.330035 ] [ 0.75 0.096129 0.345596 ] [ 0.75 0.361468 0.44083 ] [ 0.75 0.849626 0.482949 ] [ 0.25 0.150374 0.517051 ] [ 0.25 0.638532 0.55917 ] [ 0.25 0.903871 0.654404 ] [ 0.25 0.367174 0.669965 ] [ 0.75 0.150751 0.738598 ] [ 0.25 0.650751 0.761402 ] [ 0.75 0.867174 0.830035 ] [ 0.75 0.403871 0.845596 ] [ 0.75 0.138532 0.94083 ] [ 0.75 0.650374 0.982949 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "La" "La" "La" "La" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.49717687 "source-unit" "angstrom" } "b" { "source-value" 15.19999015 "source-unit" "angstrom" } "c" { "source-value" 18.29752565 "source-unit" "angstrom" } }