{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.006611 0.663615 0.252587 ] [ 0.506611 0.336385 0.247413 ] [ 0.006611 0.663615 0.747413 ] [ 0.506611 0.336385 0.752587 ] [ 0.003886 0.141882 0 ] [ 0.503886 0.858118 0.5 ] [ 0.497599 0.82776 0 ] [ 0.997599 0.17224 0.5 ] [ 0.18766 0.831764 0 ] [ 0.606695 0.091638 0 ] [ 0.095472 0.306207 0.28713 ] [ 0.595472 0.693793 0.21287 ] [ 0.106695 0.908362 0.5 ] [ 0.68766 0.168236 0.5 ] [ 0.595472 0.693793 0.78713 ] [ 0.095472 0.306207 0.71287 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "B" "B" "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" 4.80063149 "source-unit" "angstrom" } "b" { "source-value" 5.35830483 "source-unit" "angstrom" } "c" { "source-value" 5.81463517 "source-unit" "angstrom" } }