{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.710351 0.077349 ] [ 0.5 0.289649 0.577349 ] [ 0 0.791354 0.732336 ] [ 0 0.208646 0.232336 ] [ 0 0.78443 0.413655 ] [ 0 0.21557 0.913655 ] [ 0 0.330273 0.788928 ] [ 0 0.038599 0.423564 ] [ 0 0.648448 0.535348 ] [ 0 0.669727 0.288928 ] [ 0 0.351552 0.035348 ] [ 0 0.961401 0.923564 ] [ 0.5 0.804059 0.728821 ] [ 0.5 0.195941 0.228821 ] ] } "species" { "source-value" [ "K" "K" "Cu" "Cu" "C" "C" "O" "O" "O" "O" "O" "O" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.06587809 "source-unit" "angstrom" } "b" { "source-value" 5.14786435 "source-unit" "angstrom" } "c" { "source-value" 9.04262833 "source-unit" "angstrom" } }