{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbna" } "basis-atom-coordinates" { "source-value" [ [ 0.491445 0.25 0.5 ] [ 0.508555 0.75 0.5 ] [ 0.008555 0.75 0 ] [ 0.991445 0.25 0 ] [ 0.883389 0.493627 0.683578 ] [ 0.011287 0.75 0.5 ] [ 0.511287 0.75 0 ] [ 0.616611 0.993627 0.816422 ] [ 0.616611 0.506373 0.183578 ] [ 0.883389 0.006373 0.316422 ] [ 0.383389 0.493627 0.816422 ] [ 0.383389 0.006373 0.183578 ] [ 0.988713 0.25 0.5 ] [ 0.488713 0.25 0 ] [ 0.116611 0.993627 0.683578 ] [ 0.116611 0.506373 0.316422 ] [ 0.941542 0.992496 0.161705 ] [ 0.858396 0.865827 0.419433 ] [ 0.358396 0.634173 0.919433 ] [ 0.159682 0.832603 0.616134 ] [ 0.641604 0.365827 0.080567 ] [ 0.659682 0.832603 0.883866 ] [ 0.159682 0.667397 0.383866 ] [ 0.840318 0.167397 0.383866 ] [ 0.340318 0.167397 0.116134 ] [ 0.340318 0.332603 0.883866 ] [ 0.141604 0.134173 0.580567 ] [ 0.358396 0.865827 0.080567 ] [ 0.941542 0.507504 0.838295 ] [ 0.058458 0.007504 0.838295 ] [ 0.441542 0.507504 0.661705 ] [ 0.558458 0.492496 0.338295 ] [ 0.840318 0.332603 0.616134 ] [ 0.441542 0.992496 0.338295 ] [ 0.058458 0.492496 0.161705 ] [ 0.659682 0.667397 0.116134 ] [ 0.141604 0.365827 0.419433 ] [ 0.858396 0.634173 0.580567 ] [ 0.641604 0.134173 0.919433 ] [ 0.558458 0.007504 0.661705 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.16315934028 "source-unit" "angstrom" } "b" { "source-value" 7.81389312689 "source-unit" "angstrom" } "c" { "source-value" 8.34097347 "source-unit" "angstrom" } }