{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.473644 0.5 0.229448 ] [ 0.527843 0 0.77261 ] [ 0.974455 0 0.270433 ] [ 0.053012 0.5 0.722993 ] [ 0.077745 0 0.593144 ] [ 0.414757 0 0.092143 ] [ 0.588511 0.5 0.90361 ] [ 0.917814 0.5 0.4089 ] [ 0.169293 0 0.446732 ] [ 0.229498 0.794712 0.673256 ] [ 0.229498 0.205288 0.673256 ] [ 0.234648 0.5 0.390556 ] [ 0.264271 0.5 0.889174 ] [ 0.266131 0.794178 0.17175 ] [ 0.266131 0.205822 0.17175 ] [ 0.325947 0 0.945484 ] [ 0.663493 0.5 0.05367 ] [ 0.731055 0.291954 0.82888 ] [ 0.731055 0.708046 0.82888 ] [ 0.732111 0 0.109529 ] [ 0.761819 0 0.608529 ] [ 0.766836 0.294409 0.329272 ] [ 0.766836 0.705591 0.329272 ] [ 0.833599 0.5 0.556728 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Co" "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" 4.76110724 "source-unit" "angstrom" } "b" { "source-value" 5.77906699 "source-unit" "angstrom" } "c" { "source-value" 9.92565402 "source-unit" "angstrom" } "beta" { "source-value" 90.457461 "source-unit" "degree" } }