{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.64326 0.25 ] [ 0 0.35674 0.75 ] [ 0.5 0.14326 0.25 ] [ 0.5 0.85674 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.244775 0.972458 0.75 ] [ 0.755225 0.027542 0.25 ] [ 0.244775 0.027542 0.25 ] [ 0.755225 0.972458 0.75 ] [ 0 0.242702 0.960078 ] [ 0 0.757298 0.460078 ] [ 0 0.757298 0.039922 ] [ 0 0.242702 0.539922 ] [ 0.744775 0.472458 0.75 ] [ 0.255225 0.527542 0.25 ] [ 0.744775 0.527542 0.25 ] [ 0.255225 0.472458 0.75 ] [ 0.5 0.742702 0.960078 ] [ 0.5 0.257298 0.460078 ] [ 0.5 0.257298 0.039922 ] [ 0.5 0.742702 0.539922 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.52860252919 "source-unit" "angstrom" } "b" { "source-value" 8.38227050603 "source-unit" "angstrom" } "c" { "source-value" 6.29715613 "source-unit" "angstrom" } }