{ "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" [ [ 0.176852 0.996712 0.593145 ] [ 0.323148 0.996712 0.093145 ] [ 0.323148 0.503288 0.093145 ] [ 0.176852 0.503288 0.593145 ] [ 0.676852 0.496712 0.906855 ] [ 0.823148 0.496712 0.406855 ] [ 0.823148 0.003288 0.406855 ] [ 0.676852 0.003288 0.906855 ] [ 0.16838 0.25 0.838753 ] [ 0.33162 0.25 0.338753 ] [ 0.66838 0.75 0.661247 ] [ 0.83162 0.75 0.161247 ] [ 0.670026 0.25 0.657161 ] [ 0.829974 0.25 0.157161 ] [ 0.329974 0.75 0.342839 ] [ 0.170026 0.75 0.842839 ] [ 0.785157 0.047413 0.590678 ] [ 0.714843 0.047413 0.090678 ] [ 0.365022 0.25 0.6485 ] [ 0.744202 0.25 0.29811 ] [ 0.755798 0.25 0.79811 ] [ 0.134978 0.25 0.1485 ] [ 0.714843 0.452587 0.090678 ] [ 0.785157 0.452587 0.590678 ] [ 0.285157 0.547413 0.909322 ] [ 0.214843 0.547413 0.409322 ] [ 0.634978 0.75 0.3515 ] [ 0.865022 0.75 0.8515 ] [ 0.255798 0.75 0.70189 ] [ 0.244202 0.75 0.20189 ] [ 0.214843 0.952587 0.409322 ] [ 0.285157 0.952587 0.909322 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "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" 5.07807624 "source-unit" "angstrom" } "b" { "source-value" 6.25441694 "source-unit" "angstrom" } "c" { "source-value" 10.66922875 "source-unit" "angstrom" } }