{ "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" [ [ 0.25 0.522435 0.333197 ] [ 0.25 0.022435 0.166803 ] [ 0.75 0.977565 0.833197 ] [ 0.75 0.477565 0.666803 ] [ 0.75 0.350738 0.06696 ] [ 0.25 0.149262 0.56696 ] [ 0.75 0.850738 0.43304 ] [ 0.25 0.649262 0.93304 ] [ 0.25 0.782039 0.622426 ] [ 0.25 0.282039 0.877574 ] [ 0.75 0.217961 0.377574 ] [ 0.75 0.717961 0.122426 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.59417319 "source-unit" "angstrom" } "b" { "source-value" 6.1330245 "source-unit" "angstrom" } "c" { "source-value" 7.11760972 "source-unit" "angstrom" } }