{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.459759 0.25 0.838614 ] [ 0.040241 0.25 0.338614 ] [ 0.959759 0.75 0.661386 ] [ 0.540241 0.75 0.161386 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.964418 0.25 0.679365 ] [ 0.535582 0.25 0.179365 ] [ 0.464418 0.75 0.820635 ] [ 0.035582 0.75 0.320635 ] [ 0.814808 0.038148 0.618402 ] [ 0.685192 0.038148 0.118402 ] [ 0.901073 0.25 0.863788 ] [ 0.2867 0.25 0.632026 ] [ 0.2133 0.25 0.132026 ] [ 0.598927 0.25 0.363788 ] [ 0.814808 0.461852 0.618402 ] [ 0.685192 0.461852 0.118402 ] [ 0.314808 0.538148 0.881598 ] [ 0.185192 0.538148 0.381598 ] [ 0.7867 0.75 0.867974 ] [ 0.401073 0.75 0.636212 ] [ 0.7133 0.75 0.367974 ] [ 0.098927 0.75 0.136212 ] [ 0.314808 0.961852 0.881598 ] [ 0.185192 0.961852 0.381598 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Si" "Si" "Si" "Si" "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" 4.91451265 "source-unit" "angstrom" } "b" { "source-value" 6.40111904 "source-unit" "angstrom" } "c" { "source-value" 9.03500992 "source-unit" "angstrom" } }