{ "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" [ [ 0.805906 0.002074 0.661292 ] [ 0.694094 0.002074 0.161292 ] [ 0.805906 0.497926 0.661292 ] [ 0.694094 0.497926 0.161292 ] [ 0.194094 0.997926 0.338708 ] [ 0.305906 0.997926 0.838708 ] [ 0.194094 0.502074 0.338708 ] [ 0.305906 0.502074 0.838708 ] [ 0.246521 0.75 0.607512 ] [ 0.253479 0.75 0.107512 ] [ 0.746521 0.25 0.892488 ] [ 0.753479 0.25 0.392488 ] [ 0.186093 0.25 0.087403 ] [ 0.313907 0.25 0.587403 ] [ 0.686093 0.75 0.412597 ] [ 0.813907 0.75 0.912597 ] [ 0.76246 0.75 0.552882 ] [ 0.110716 0.75 0.898786 ] [ 0.802194 0.950324 0.342442 ] [ 0.610716 0.25 0.601214 ] [ 0.302194 0.049676 0.157558 ] [ 0.389284 0.75 0.398786 ] [ 0.889284 0.25 0.101214 ] [ 0.23754 0.25 0.447118 ] [ 0.197806 0.049676 0.657558 ] [ 0.26246 0.25 0.947118 ] [ 0.302194 0.450324 0.157558 ] [ 0.197806 0.450324 0.657558 ] [ 0.802194 0.549676 0.342442 ] [ 0.697806 0.549676 0.842442 ] [ 0.73754 0.75 0.052882 ] [ 0.697806 0.950324 0.842442 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "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" 5.20837106 "source-unit" "angstrom" } "b" { "source-value" 6.2284363 "source-unit" "angstrom" } "c" { "source-value" 10.61615761 "source-unit" "angstrom" } }