{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.114994 0.275677 ] [ 0.25 0.13467 0.942919 ] [ 0.75 0.36533 0.442919 ] [ 0.75 0.385006 0.775677 ] [ 0.25 0.614994 0.224323 ] [ 0.25 0.63467 0.557081 ] [ 0.75 0.86533 0.057081 ] [ 0.75 0.885006 0.724323 ] [ 0.25 0.176062 0.619561 ] [ 0.75 0.323938 0.119561 ] [ 0.25 0.676062 0.880439 ] [ 0.75 0.823938 0.380439 ] [ 0.75 0.007421 0.895502 ] [ 0.25 0.007103 0.658846 ] [ 0.25 0.22593 0.454142 ] [ 0.75 0.244431 0.615961 ] [ 0.75 0.240051 0.27324 ] [ 0.25 0.259949 0.77324 ] [ 0.25 0.255569 0.115961 ] [ 0.75 0.27407 0.954142 ] [ 0.75 0.492897 0.158846 ] [ 0.25 0.492579 0.395502 ] [ 0.75 0.507421 0.604498 ] [ 0.25 0.507103 0.841154 ] [ 0.25 0.72593 0.045858 ] [ 0.75 0.744431 0.884039 ] [ 0.75 0.740051 0.22676 ] [ 0.25 0.759949 0.72676 ] [ 0.25 0.755569 0.384039 ] [ 0.75 0.77407 0.545858 ] [ 0.75 0.992897 0.341154 ] [ 0.25 0.992579 0.104498 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Ti" "Ti" "Ti" "Ti" "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" 3.63521712 "source-unit" "angstrom" } "b" { "source-value" 10.29169499 "source-unit" "angstrom" } "c" { "source-value" 11.09708923 "source-unit" "angstrom" } }