{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.129196 0.991275 0.150305 ] [ 0.870804 0.008725 0.849695 ] [ 0.629196 0.508725 0.150305 ] [ 0.370804 0.491275 0.849695 ] [ 0.674275 0.324624 0.38291 ] [ 0.84179 0.230666 0.070095 ] [ 0.57789 0.216432 0.752833 ] [ 0.825725 0.824624 0.61709 ] [ 0.92211 0.716432 0.247167 ] [ 0.42211 0.783568 0.247167 ] [ 0.325725 0.675376 0.61709 ] [ 0.07789 0.283568 0.752833 ] [ 0.34179 0.269334 0.070095 ] [ 0.174275 0.175376 0.38291 ] [ 0.15821 0.769334 0.929905 ] [ 0.65821 0.730666 0.929905 ] ] } "species" { "source-value" [ "Sc" "Sc" "Re" "Re" "Re" "Re" "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" 5.66547265972 "source-unit" "angstrom" } "b" { "source-value" 4.86713751 "source-unit" "angstrom" } "c" { "source-value" 7.57549298185 "source-unit" "angstrom" } "beta" { "source-value" 97.8045773559 "source-unit" "degree" } }