{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.235959 0.964268 0.19444 ] [ 0.764041 0.964268 0.30556 ] [ 0.764041 0.035732 0.80556 ] [ 0.235959 0.035732 0.69444 ] [ 0.735959 0.464268 0.19444 ] [ 0.264041 0.464268 0.30556 ] [ 0.264041 0.535732 0.80556 ] [ 0.735959 0.535732 0.69444 ] [ 0.969905 0.282201 0.530056 ] [ 0.030095 0.282201 0.969944 ] [ 0.030095 0.717799 0.469944 ] [ 0.969905 0.717799 0.030056 ] [ 0.469905 0.782201 0.530056 ] [ 0.530095 0.782201 0.969944 ] [ 0.530095 0.217799 0.469944 ] [ 0.469905 0.217799 0.030056 ] [ 0.100003 0.843817 0.916052 ] [ 0.899997 0.843817 0.583948 ] [ 0.899997 0.156183 0.083948 ] [ 0.100003 0.156183 0.416052 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0 ] [ 0 0.753067 0.25 ] [ 0 0.246933 0.75 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.600003 0.343817 0.916052 ] [ 0.399997 0.343817 0.583948 ] [ 0.399997 0.656183 0.083948 ] [ 0.600003 0.656183 0.416052 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0 ] [ 0.5 0.253067 0.25 ] [ 0.5 0.746933 0.75 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "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" 7.59574312721 "source-unit" "angstrom" } "b" { "source-value" 7.38525947041 "source-unit" "angstrom" } "c" { "source-value" 7.45694514552 "source-unit" "angstrom" } "beta" { "source-value" 91.0694403556 "source-unit" "degree" } }