{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.734085 0.296632 ] [ 0.25 0.265915 0.703368 ] [ 0.25 0.753952 0.545578 ] [ 0.75 0.765915 0.796632 ] [ 0.25 0.746048 0.045578 ] [ 0.75 0.246048 0.454422 ] [ 0.75 0.253952 0.954422 ] [ 0.25 0.234085 0.203368 ] [ 0.25 0.990932 0.375139 ] [ 0.75 0.009068 0.624861 ] [ 0.25 0.509068 0.875139 ] [ 0.75 0.490932 0.124861 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.10692583 "source-unit" "angstrom" } "b" { "source-value" 4.99959803 "source-unit" "angstrom" } "c" { "source-value" 11.02333156 "source-unit" "angstrom" } }