{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.788581 0.549924 0.277604 ] [ 0.211419 0.049924 0.722396 ] [ 0.601626 0.86934 0.477173 ] [ 0.780305 0.276292 0.907098 ] [ 0.219695 0.776292 0.092902 ] [ 0.398374 0.36934 0.522827 ] [ 0.960273 0.735833 0.151457 ] [ 0.872978 0.371371 0.096869 ] [ 0.813279 0.003822 0.513847 ] [ 0.730602 0.704161 0.492234 ] [ 0.586268 0.373312 0.391754 ] [ 0.394459 0.630682 0.082798 ] [ 0.410596 0.896869 0.253729 ] [ 0.589404 0.396869 0.746271 ] [ 0.605541 0.130682 0.917202 ] [ 0.413732 0.873312 0.608246 ] [ 0.269398 0.204161 0.507766 ] [ 0.186721 0.503822 0.486153 ] [ 0.127022 0.871371 0.903131 ] [ 0.039727 0.235833 0.848543 ] ] } "species" { "source-value" [ "Sb" "Sb" "P" "P" "P" "P" "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" 5.05766472731 "source-unit" "angstrom" } "b" { "source-value" 8.51481412 "source-unit" "angstrom" } "c" { "source-value" 7.21217367919 "source-unit" "angstrom" } "beta" { "source-value" 108.383858224 "source-unit" "degree" } }