{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.52914 0.497072 0.17173 ] [ 0.47086 0.997072 0.82827 ] [ 0.97086 0.497072 0.67173 ] [ 0.02914 0.997072 0.32827 ] [ 0.52914 0.002928 0.17173 ] [ 0.47086 0.502928 0.82827 ] [ 0.97086 0.002928 0.67173 ] [ 0.02914 0.502928 0.32827 ] [ 0.565555 0.75 0.49721 ] [ 0.434445 0.25 0.50279 ] [ 0.934445 0.75 0.99721 ] [ 0.065555 0.25 0.00279 ] [ 0.865211 0.25 0.168034 ] [ 0.134789 0.75 0.831966 ] [ 0.634789 0.25 0.668034 ] [ 0.365211 0.75 0.331966 ] [ 0.834566 0.75 0.194918 ] [ 0.165434 0.25 0.805082 ] [ 0.665434 0.75 0.694918 ] [ 0.334566 0.25 0.305082 ] [ 0.645921 0.466598 0.420727 ] [ 0.354079 0.966598 0.579273 ] [ 0.854079 0.466598 0.920727 ] [ 0.145921 0.966598 0.079273 ] [ 0.400284 0.25 0.011826 ] [ 0.599716 0.75 0.988174 ] [ 0.099716 0.25 0.511826 ] [ 0.900284 0.75 0.488174 ] [ 0.145921 0.533402 0.079273 ] [ 0.854079 0.033402 0.920727 ] [ 0.354079 0.533402 0.579273 ] [ 0.645921 0.033402 0.420727 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Sm" "Sm" "Sm" "Sm" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.7540077 "source-unit" "angstrom" } "b" { "source-value" 7.48690735 "source-unit" "angstrom" } "c" { "source-value" 11.05797629 "source-unit" "angstrom" } }