{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.606214 0.668543 0.990672 ] [ 0.106214 0.831457 0.009328 ] [ 0.893786 0.168543 0.509328 ] [ 0.393786 0.331457 0.490672 ] [ 0.393786 0.331457 0.009328 ] [ 0.893786 0.168543 0.990672 ] [ 0.106214 0.831457 0.490672 ] [ 0.606214 0.668543 0.509328 ] [ 0.546901 0.995327 0.75 ] [ 0.046901 0.504673 0.25 ] [ 0.953099 0.495327 0.75 ] [ 0.453099 0.004673 0.25 ] [ 0.883163 0.879604 0.25 ] [ 0.383163 0.620396 0.75 ] [ 0.616837 0.379604 0.25 ] [ 0.116837 0.120396 0.75 ] [ 0.742998 0.91999 0.094252 ] [ 0.242998 0.58001 0.905748 ] [ 0.757002 0.41999 0.405748 ] [ 0.257002 0.08001 0.594252 ] [ 0.257002 0.08001 0.905748 ] [ 0.757002 0.41999 0.094252 ] [ 0.242998 0.58001 0.594252 ] [ 0.742998 0.91999 0.405748 ] [ 0.84164 0.202515 0.75 ] [ 0.34164 0.297485 0.25 ] [ 0.65836 0.702515 0.75 ] [ 0.15836 0.797485 0.25 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "B" "B" "B" "B" "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" 6.20235166 "source-unit" "angstrom" } "b" { "source-value" 8.18923153 "source-unit" "angstrom" } "c" { "source-value" 10.1518772 "source-unit" "angstrom" } }