{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.484461 0.749633 0.797221 ] [ 0.984461 0.750367 0.297221 ] [ 0.015539 0.249633 0.702779 ] [ 0.515539 0.250367 0.202779 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.985079 0.195019 0.374709 ] [ 0.514921 0.695019 0.125291 ] [ 0.014921 0.804981 0.625291 ] [ 0.485079 0.304981 0.874709 ] [ 0.373208 0.413523 0.739889 ] [ 0.873208 0.086477 0.239889 ] [ 0.190515 0.746709 0.499006 ] [ 0.309485 0.246709 0.000994 ] [ 0.734086 0.762299 0.609965 ] [ 0.626792 0.586477 0.260111 ] [ 0.809485 0.253291 0.500994 ] [ 0.690515 0.753291 0.999006 ] [ 0.126792 0.913523 0.760111 ] [ 0.234086 0.737701 0.109965 ] [ 0.765914 0.262299 0.890035 ] [ 0.265914 0.237701 0.390035 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Sc" "Sc" "B" "B" "B" "B" "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" 4.82328667833 "source-unit" "angstrom" } "b" { "source-value" 6.00037429 "source-unit" "angstrom" } "c" { "source-value" 8.24524625138 "source-unit" "angstrom" } "beta" { "source-value" 90.6668972052 "source-unit" "degree" } }