{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnmm" } "basis-atom-coordinates" { "source-value" [ [ 0.519434 0.75 0.25 ] [ 0.480566 0.25 0.75 ] [ 0.483866 0.25 0.25 ] [ 0.516134 0.75 0.75 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.722005 0.017489 0.502791 ] [ 0.722005 0.482511 0.997209 ] [ 0.277995 0.517489 0.497209 ] [ 0.277995 0.982511 0.002791 ] [ 0.277995 0.982511 0.497209 ] [ 0.277995 0.517489 0.002791 ] [ 0.722005 0.482511 0.502791 ] [ 0.722005 0.017489 0.997209 ] [ 0.007316 0.032958 0.75 ] [ 0.007316 0.467043 0.75 ] [ 0.992684 0.532957 0.25 ] [ 0.992684 0.967043 0.25 ] [ 0.974743 0.75 0.966976 ] [ 0.974743 0.75 0.533024 ] [ 0.025257 0.25 0.033024 ] [ 0.025257 0.25 0.466976 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Al" "Al" "Al" "Al" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.39693847 "source-unit" "angstrom" } "b" { "source-value" 7.36952172 "source-unit" "angstrom" } "c" { "source-value" 7.37942958 "source-unit" "angstrom" } }