{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcam" } "basis-atom-coordinates" { "source-value" [ [ 0.980528 0.700514 0.417156 ] [ 0.952297 0.307118 0.25 ] [ 0.480528 0.299486 0.417156 ] [ 0.019472 0.299486 0.917156 ] [ 0.452297 0.692882 0.25 ] [ 0.047703 0.692882 0.75 ] [ 0.519472 0.700514 0.917156 ] [ 0.980528 0.700514 0.082844 ] [ 0.480528 0.299486 0.082844 ] [ 0.519472 0.700514 0.582844 ] [ 0.019472 0.299486 0.582844 ] [ 0.547703 0.307118 0.75 ] [ 0.817214 0.898741 0.821437 ] [ 0.317214 0.101259 0.678563 ] [ 0.682786 0.898741 0.178563 ] [ 0.75 0.105002 0.5 ] [ 0.182786 0.101259 0.321437 ] [ 0.182786 0.101259 0.178563 ] [ 0.682786 0.898741 0.321437 ] [ 0.75 0.105002 0 ] [ 0.25 0.894998 0 ] [ 0.25 0.894998 0.5 ] [ 0.317214 0.101259 0.821437 ] [ 0.817214 0.898741 0.678563 ] [ 0.282993 0.496849 0.834367 ] [ 0.533046 0.970813 0.587775 ] [ 0.332571 0.941223 0.25 ] [ 0.541633 0.782019 0.75 ] [ 0.466954 0.029187 0.412225 ] [ 0.217007 0.496849 0.334367 ] [ 0.717007 0.503151 0.334367 ] [ 0.458367 0.217981 0.25 ] [ 0.48385 0.779333 0.084568 ] [ 0.01615 0.779333 0.915432 ] [ 0.782993 0.503151 0.834367 ] [ 0.25 0.502748 0 ] [ 0.75 0.497252 0 ] [ 0.48385 0.779333 0.415432 ] [ 0.966954 0.970813 0.412225 ] [ 0.033046 0.029187 0.587775 ] [ 0.25 0.502748 0.5 ] [ 0.01615 0.779333 0.584568 ] [ 0.958367 0.782019 0.25 ] [ 0.041633 0.217981 0.75 ] [ 0.75 0.497252 0.5 ] [ 0.466954 0.029187 0.087775 ] [ 0.717007 0.503151 0.165633 ] [ 0.033046 0.029187 0.912225 ] [ 0.966954 0.970813 0.087775 ] [ 0.167429 0.941223 0.75 ] [ 0.782993 0.503151 0.665633 ] [ 0.667429 0.058777 0.75 ] [ 0.98385 0.220667 0.415432 ] [ 0.98385 0.220667 0.084568 ] [ 0.832571 0.058777 0.25 ] [ 0.217007 0.496849 0.165633 ] [ 0.51615 0.220667 0.915432 ] [ 0.533046 0.970813 0.912225 ] [ 0.51615 0.220667 0.584568 ] [ 0.282993 0.496849 0.665633 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.23706552 "source-unit" "angstrom" } "b" { "source-value" 12.70923776 "source-unit" "angstrom" } "c" { "source-value" 18.49192709 "source-unit" "angstrom" } }