{ "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 0.670179 0.050553 ] [ 0.75 0.170179 0.449447 ] [ 0.75 0.329821 0.949447 ] [ 0.25 0.829821 0.550553 ] [ 0.25 0.201992 0.204568 ] [ 0.75 0.798008 0.795432 ] [ 0.75 0.701992 0.295432 ] [ 0.25 0.298008 0.704568 ] [ 0.25 0.521619 0.194652 ] [ 0.75 0.478381 0.805348 ] [ 0.75 0.021619 0.305348 ] [ 0.25 0.978381 0.694652 ] [ 0.25 0.577902 0.872242 ] [ 0.75 0.422098 0.127758 ] [ 0.75 0.077902 0.627758 ] [ 0.25 0.922098 0.372242 ] [ 0.010291 0.789373 0.067111 ] [ 0.510291 0.210627 0.932889 ] [ 0.989709 0.289373 0.432889 ] [ 0.489709 0.710627 0.567111 ] [ 0.989709 0.210627 0.932889 ] [ 0.489709 0.789373 0.067111 ] [ 0.010291 0.710627 0.567111 ] [ 0.510291 0.289373 0.432889 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Pb" "Pb" "Pb" "Pb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.87403531 "source-unit" "angstrom" } "b" { "source-value" 7.73412585 "source-unit" "angstrom" } "c" { "source-value" 8.30384629 "source-unit" "angstrom" } }