{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.679228 0.723833 ] [ 0.75 0.320772 0.276167 ] [ 0.75 0.179228 0.776167 ] [ 0.25 0.820772 0.223833 ] [ 0.25 0.309628 0.597264 ] [ 0.75 0.690372 0.402736 ] [ 0.75 0.809628 0.902736 ] [ 0.25 0.190372 0.097264 ] [ 0.25 0.385936 0.440017 ] [ 0.75 0.614064 0.559983 ] [ 0.75 0.885936 0.059983 ] [ 0.25 0.114064 0.940017 ] [ 0.25 0.443362 0.735106 ] [ 0.75 0.556638 0.264894 ] [ 0.75 0.943362 0.764894 ] [ 0.25 0.056638 0.235106 ] [ 0.002328 0.309766 0.123095 ] [ 0.502328 0.690234 0.876905 ] [ 0.997672 0.809766 0.376905 ] [ 0.497672 0.190234 0.623095 ] [ 0.997672 0.690234 0.876905 ] [ 0.497672 0.309766 0.123095 ] [ 0.002328 0.190234 0.623095 ] [ 0.502328 0.809766 0.376905 ] ] } "species" { "source-value" [ "As" "As" "As" "As" "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" 5.04368824 "source-unit" "angstrom" } "b" { "source-value" 7.78815249 "source-unit" "angstrom" } "c" { "source-value" 8.71967673 "source-unit" "angstrom" } }