{ "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" [ [ 0.225183 0.25 0.302973 ] [ 0.75 0 0.298699 ] [ 0.25 0 0.701301 ] [ 0.25 0.5 0.701301 ] [ 0.75 0.5 0.298699 ] [ 0.274817 0.75 0.302973 ] [ 0.725183 0.25 0.697027 ] [ 0.774817 0.75 0.697027 ] [ 0.456598 0.135775 0.097024 ] [ 0.043402 0.635775 0.097024 ] [ 0.456598 0.364225 0.097024 ] [ 0.543402 0.635775 0.902976 ] [ 0.543402 0.864225 0.902976 ] [ 0.956598 0.135775 0.902976 ] [ 0.043402 0.864225 0.097024 ] [ 0.956598 0.364225 0.902976 ] [ 0.27376 0.75 0.786884 ] [ 0.988211 0.376227 0.502718 ] [ 0.75 0.5 0.026863 ] [ 0.25 0 0.219482 ] [ 0.25 0.5 0.973137 ] [ 0.099952 0.25 0.055445 ] [ 0.599952 0.25 0.944555 ] [ 0.75 0.5 0.780518 ] [ 0.511789 0.623773 0.502718 ] [ 0.488211 0.376227 0.497282 ] [ 0.75 0 0.780518 ] [ 0.72624 0.25 0.213116 ] [ 0.511789 0.876227 0.502718 ] [ 0.25 0.5 0.219482 ] [ 0.22624 0.25 0.786884 ] [ 0.900048 0.75 0.944555 ] [ 0.488211 0.123773 0.497282 ] [ 0.988211 0.123773 0.502718 ] [ 0.011789 0.623773 0.497282 ] [ 0.011789 0.876227 0.497282 ] [ 0.75 0 0.026863 ] [ 0.400048 0.75 0.055445 ] [ 0.77376 0.75 0.213116 ] [ 0.25 0 0.973137 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "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" 6.32523182 "source-unit" "angstrom" } "b" { "source-value" 12.25604871 "source-unit" "angstrom" } "c" { "source-value" 12.95708173 "source-unit" "angstrom" } }