{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0 0 0.08166 ] [ 0 0 0.91834 ] [ 0 0 0.214317 ] [ 0 0 0.785683 ] [ 0.5 0.5 0.14784 ] [ 0.5 0.5 0.85216 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.58166 ] [ 0.5 0.5 0.41834 ] [ 0.5 0.5 0.714317 ] [ 0.5 0.5 0.285683 ] [ 0 0 0.64784 ] [ 0 0 0.35216 ] [ 0 0.5 0.971579 ] [ 0.5 0.5 0.943142 ] [ 0.5 0.5 0.056858 ] [ 0 0.5 0.028421 ] [ 0.5 0 0.471579 ] [ 0 0 0.443142 ] [ 0 0 0.556858 ] [ 0.5 0 0.528421 ] [ 0.5 0.5 0.215279 ] [ 0 0 0.85277 ] [ 0.5 0.5 0.784721 ] [ 0 0 0.14723 ] [ 0 0 0.715279 ] [ 0.5 0.5 0.35277 ] [ 0 0 0.284721 ] [ 0.5 0.5 0.64723 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "B" "B" "B" "B" "B" "B" "B" "B" "C" "C" "C" "C" "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" 3.15661581703 "source-unit" "angstrom" } "b" { "source-value" 3.23856563984 "source-unit" "angstrom" } "c" { "source-value" 32.5978841943 "source-unit" "angstrom" } }