{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.735303 0.044017 ] [ 0.25 0.264697 0.955983 ] [ 0.75 0.235303 0.455983 ] [ 0.25 0.764697 0.544017 ] [ 0.25 0.644884 0.295632 ] [ 0.75 0.355116 0.704368 ] [ 0.25 0.144884 0.204368 ] [ 0.75 0.855116 0.795632 ] [ 0.25 0.509635 0.109118 ] [ 0.75 0.490365 0.890882 ] [ 0.25 0.009635 0.390882 ] [ 0.75 0.990365 0.609118 ] [ 0.75 0.854445 0.21888 ] [ 0.25 0.145555 0.78112 ] [ 0.75 0.354445 0.28112 ] [ 0.25 0.645555 0.71888 ] [ 0.25 0.874032 0.932553 ] [ 0.75 0.125968 0.067447 ] [ 0.25 0.374032 0.567447 ] [ 0.75 0.625968 0.432553 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.05800169 "source-unit" "angstrom" } "b" { "source-value" 7.51306025 "source-unit" "angstrom" } "c" { "source-value" 15.68326375 "source-unit" "angstrom" } }