{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.030182 0.75 0.295353 ] [ 0.969818 0.25 0.704647 ] [ 0.521263 0.25 0.218766 ] [ 0.478737 0.75 0.781234 ] [ 0.602992 0.75 0.086316 ] [ 0.088224 0.25 0.416215 ] [ 0.911776 0.75 0.583785 ] [ 0.397008 0.25 0.913684 ] [ 0.253166 0.25 0.044087 ] [ 0.28996 0.75 0.078604 ] [ 0.731691 0.944341 0.151323 ] [ 0.731691 0.555659 0.151323 ] [ 0.205611 0.443592 0.342412 ] [ 0.205611 0.056408 0.342412 ] [ 0.768551 0.25 0.418891 ] [ 0.774774 0.75 0.457187 ] [ 0.225226 0.25 0.542813 ] [ 0.231449 0.75 0.581109 ] [ 0.794389 0.943592 0.657588 ] [ 0.794389 0.556408 0.657588 ] [ 0.268309 0.444341 0.848677 ] [ 0.268309 0.055659 0.848677 ] [ 0.71004 0.25 0.921396 ] [ 0.746834 0.75 0.955913 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Bi" "Bi" "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" 4.8365834 "source-unit" "angstrom" } "b" { "source-value" 6.42308554 "source-unit" "angstrom" } "c" { "source-value" 11.00225827 "source-unit" "angstrom" } "beta" { "source-value" 90.27844561 "source-unit" "degree" } }