{ "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" [ [ 0.237946 0.992812 0.675555 ] [ 0.262054 0.992812 0.175555 ] [ 0.237946 0.507188 0.675555 ] [ 0.262054 0.507188 0.175555 ] [ 0.737946 0.492812 0.824445 ] [ 0.762054 0.492812 0.324445 ] [ 0.762054 0.007188 0.324445 ] [ 0.737946 0.007188 0.824445 ] [ 0.830331 0.25 0.566802 ] [ 0.669669 0.25 0.066802 ] [ 0.330331 0.75 0.933198 ] [ 0.169669 0.75 0.433198 ] [ 0.203137 0.25 0.928017 ] [ 0.296863 0.25 0.428017 ] [ 0.703137 0.75 0.571983 ] [ 0.796863 0.75 0.071983 ] [ 0.320809 0.047953 0.861734 ] [ 0.179191 0.047953 0.361734 ] [ 0.909288 0.25 0.917944 ] [ 0.220399 0.25 0.569326 ] [ 0.279601 0.25 0.069326 ] [ 0.590712 0.25 0.417944 ] [ 0.320809 0.452047 0.861734 ] [ 0.179191 0.452047 0.361734 ] [ 0.679191 0.547953 0.138266 ] [ 0.820809 0.547953 0.638266 ] [ 0.720399 0.75 0.930674 ] [ 0.409288 0.75 0.582056 ] [ 0.779601 0.75 0.430674 ] [ 0.090712 0.75 0.082056 ] [ 0.820809 0.952047 0.638266 ] [ 0.679191 0.952047 0.138266 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "B" "B" "B" "B" "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" 4.96999047 "source-unit" "angstrom" } "b" { "source-value" 6.02104244 "source-unit" "angstrom" } "c" { "source-value" 10.23356382 "source-unit" "angstrom" } }