{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.003298 0.244917 0.997419 ] [ 0.003298 0.755083 0.497419 ] [ 0.50064 0.912458 0.499161 ] [ 0.50064 0.087542 0.999161 ] [ 0.503298 0.744917 0.997419 ] [ 0.503298 0.255083 0.497419 ] [ 0.00064 0.412458 0.499161 ] [ 0.00064 0.587542 0.999161 ] [ 0.024513 0.915431 0.020587 ] [ 0.024513 0.084569 0.520587 ] [ 0.524513 0.415431 0.020587 ] [ 0.524513 0.584569 0.520587 ] [ 0.885297 0.761386 0.118156 ] [ 0.885297 0.238614 0.618156 ] [ 0.889294 0.924149 0.644947 ] [ 0.889294 0.075851 0.144947 ] [ 0.374857 0.915656 0.117031 ] [ 0.374857 0.084344 0.617031 ] [ 0.385297 0.261386 0.118156 ] [ 0.385297 0.738614 0.618156 ] [ 0.389294 0.424149 0.644947 ] [ 0.389294 0.575851 0.144947 ] [ 0.874857 0.415656 0.117031 ] [ 0.874857 0.584344 0.617031 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Si" "Si" "Si" "Si" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.34874830174 "source-unit" "angstrom" } "b" { "source-value" 11.172407628 "source-unit" "angstrom" } "c" { "source-value" 6.33687174004 "source-unit" "angstrom" } "beta" { "source-value" 108.359643769 "source-unit" "degree" } }