{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.609594 0.647043 ] [ 0.25 0.365892 0.148119 ] [ 0.25 0.890406 0.147043 ] [ 0.75 0.109594 0.852957 ] [ 0.75 0.634108 0.851881 ] [ 0.25 0.134108 0.648119 ] [ 0.75 0.865892 0.351881 ] [ 0.75 0.390406 0.352957 ] [ 0.75 0.356181 0.562022 ] [ 0.25 0.643819 0.437978 ] [ 0.75 0.143819 0.062022 ] [ 0.25 0.856181 0.937978 ] [ 0.25 0.609475 0.008321 ] [ 0.75 0.870227 0.008476 ] [ 0.75 0.627241 0.175611 ] [ 0.25 0.127241 0.324389 ] [ 0.75 0.390525 0.991679 ] [ 0.75 0.370838 0.709634 ] [ 0.75 0.629773 0.508476 ] [ 0.25 0.870838 0.790366 ] [ 0.75 0.109475 0.491679 ] [ 0.25 0.372759 0.824389 ] [ 0.75 0.129162 0.209634 ] [ 0.25 0.370227 0.491524 ] [ 0.25 0.629162 0.290366 ] [ 0.75 0.872759 0.675611 ] [ 0.25 0.890525 0.508321 ] [ 0.25 0.129773 0.991524 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Ni" "Ni" "Ni" "Ni" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.51281111 "source-unit" "angstrom" } "b" { "source-value" 9.0127818 "source-unit" "angstrom" } "c" { "source-value" 17.09435737 "source-unit" "angstrom" } }