{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbma" } "basis-atom-coordinates" { "source-value" [ [ 0.281811 0.75 0.30404 ] [ 0.75 0.5 0.300334 ] [ 0.781811 0.75 0.69596 ] [ 0.75 0 0.300334 ] [ 0.718189 0.25 0.69596 ] [ 0.25 0 0.699666 ] [ 0.218189 0.25 0.30404 ] [ 0.25 0.5 0.699666 ] [ 0.95476 0.136304 0.899948 ] [ 0.04524 0.636304 0.100052 ] [ 0.95476 0.363696 0.899948 ] [ 0.54524 0.636304 0.899948 ] [ 0.54524 0.863696 0.899948 ] [ 0.45476 0.363696 0.100052 ] [ 0.04524 0.863696 0.100052 ] [ 0.45476 0.136304 0.100052 ] [ 0.717561 0.25 0.227205 ] [ 0.75 0.5 0.77172 ] [ 0.483755 0.375936 0.496804 ] [ 0.597405 0.25 0.941966 ] [ 0.75 0 0.77172 ] [ 0.282439 0.75 0.772795 ] [ 0.25 0 0.970454 ] [ 0.25 0.5 0.970454 ] [ 0.483755 0.124064 0.496804 ] [ 0.902595 0.75 0.941966 ] [ 0.25 0 0.22828 ] [ 0.016245 0.624064 0.496804 ] [ 0.782439 0.75 0.227205 ] [ 0.75 0 0.029546 ] [ 0.402595 0.75 0.058034 ] [ 0.516245 0.624064 0.503196 ] [ 0.983755 0.375936 0.503196 ] [ 0.75 0.5 0.029546 ] [ 0.25 0.5 0.22828 ] [ 0.217561 0.25 0.772795 ] [ 0.516245 0.875936 0.503196 ] [ 0.016245 0.875936 0.496804 ] [ 0.097405 0.25 0.058034 ] [ 0.983755 0.124064 0.503196 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 6.25854298 "source-unit" "angstrom" } "b" { "source-value" 12.23214406 "source-unit" "angstrom" } "c" { "source-value" 12.53379931 "source-unit" "angstrom" } }