{ "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" [ [ 0.75 0.989423 0.395034 ] [ 0.25 0.489423 0.104966 ] [ 0.75 0.510577 0.895034 ] [ 0.25 0.010577 0.604966 ] [ 0.75 0.73989 0.15679 ] [ 0.25 0.26011 0.84321 ] [ 0.75 0.76011 0.65679 ] [ 0.25 0.23989 0.34321 ] [ 0.75 0.34626 0.585738 ] [ 0.75 0.15374 0.085738 ] [ 0.25 0.65374 0.414262 ] [ 0.25 0.84626 0.914262 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Te" "Te" "Te" "Te" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.81448607 "source-unit" "angstrom" } "b" { "source-value" 6.34589335 "source-unit" "angstrom" } "c" { "source-value" 8.42607321 "source-unit" "angstrom" } }