{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.689274 0.5 ] [ 0 0.310726 0.5 ] [ 0.5 0.189274 0.5 ] [ 0.5 0.810726 0.5 ] [ 0.236115 0 0.899206 ] [ 0.763885 0 0.100794 ] [ 0.736115 0.5 0.899206 ] [ 0.263885 0.5 0.100794 ] [ 0.234 0.164569 0.706931 ] [ 0.766 0.164569 0.293069 ] [ 0.766 0.835431 0.293069 ] [ 0.234 0.835431 0.706931 ] [ 0 0 0 ] [ 0.40524 0 0.225843 ] [ 0.59476 0 0.774157 ] [ 0.734 0.664569 0.706931 ] [ 0.266 0.664569 0.293069 ] [ 0.266 0.335431 0.293069 ] [ 0.734 0.335431 0.706931 ] [ 0.5 0.5 0 ] [ 0.90524 0.5 0.225843 ] [ 0.09476 0.5 0.774157 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "As" "As" "As" "As" "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" 6.62273592615 "source-unit" "angstrom" } "b" { "source-value" 8.68747646176 "source-unit" "angstrom" } "c" { "source-value" 4.84531121239 "source-unit" "angstrom" } "beta" { "source-value" 103.261312264 "source-unit" "degree" } }