{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.837059 0.25 ] [ 0 0.162941 0.75 ] [ 0.5 0.337059 0.25 ] [ 0.5 0.662941 0.75 ] [ 0 0.80617 0.933475 ] [ 0 0.19383 0.433475 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.950284 0.644568 ] [ 0.5 0.049716 0.355432 ] [ 0.5 0.049716 0.144568 ] [ 0 0.80617 0.566525 ] [ 0 0.19383 0.066525 ] [ 0.5 0.950284 0.855432 ] [ 0.5 0.30617 0.933475 ] [ 0.5 0.69383 0.433475 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.450284 0.644568 ] [ 0 0.549716 0.355432 ] [ 0 0.549716 0.144568 ] [ 0.5 0.30617 0.566525 ] [ 0.5 0.69383 0.066525 ] [ 0 0.450284 0.855432 ] [ 0.5 0.879483 0.456083 ] [ 0 0.884202 0.75 ] [ 0.5 0.879483 0.043917 ] [ 0.5 0.120517 0.956083 ] [ 0 0.115798 0.25 ] [ 0.5 0.120517 0.543917 ] [ 0 0.379483 0.456083 ] [ 0.5 0.384202 0.75 ] [ 0 0.379483 0.043917 ] [ 0 0.620517 0.956083 ] [ 0.5 0.615798 0.25 ] [ 0 0.620517 0.543917 ] ] } "species" { "source-value" [ "Eu" "Eu" "Eu" "Eu" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.73865084 "source-unit" "angstrom" } "b" { "source-value" 12.20054 "source-unit" "angstrom" } "c" { "source-value" 11.85014143 "source-unit" "angstrom" } }