{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.248353 0.75 0.104066 ] [ 0.752105 0.001123 0.247176 ] [ 0.752105 0.498877 0.247176 ] [ 0.247895 0.501123 0.752824 ] [ 0.247895 0.998877 0.752824 ] [ 0.751647 0.25 0.895934 ] [ 0.203234 0.25 0.318717 ] [ 0.796766 0.75 0.681283 ] [ 0.274584 0.75 0.428626 ] [ 0.725416 0.25 0.571374 ] [ 0.284086 0.25 0.038596 ] [ 0.715914 0.75 0.961404 ] [ 0.647857 0.75 0.113103 ] [ 0.029018 0.25 0.088784 ] [ 0.475376 0.25 0.173154 ] [ 0.181833 0.945489 0.30363 ] [ 0.181833 0.554511 0.30363 ] [ 0.597524 0.75 0.474833 ] [ 0.864381 0.25 0.403695 ] [ 0.135619 0.75 0.596305 ] [ 0.402476 0.25 0.525167 ] [ 0.818167 0.445489 0.69637 ] [ 0.818167 0.054511 0.69637 ] [ 0.524624 0.75 0.826846 ] [ 0.970982 0.75 0.911216 ] [ 0.352143 0.25 0.886897 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Si" "Si" "B" "B" "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" 5.07535045 "source-unit" "angstrom" } "b" { "source-value" 6.28164267 "source-unit" "angstrom" } "c" { "source-value" 8.32577083 "source-unit" "angstrom" } "beta" { "source-value" 95.65138265 "source-unit" "degree" } }