{ "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" [ [ 0.032947 0 0.270993 ] [ 0.946679 0.5 0.720801 ] [ 0.528856 0.5 0.229252 ] [ 0.447494 0 0.77989 ] [ 0.909824 0 0.593572 ] [ 0.590298 0 0.094973 ] [ 0.418299 0.5 0.905718 ] [ 0.090272 0.5 0.404884 ] [ 0.827113 0 0.444548 ] [ 0.766166 0.207016 0.669934 ] [ 0.766166 0.792984 0.669934 ] [ 0.771043 0.5 0.381226 ] [ 0.733698 0.5 0.887352 ] [ 0.743644 0.204405 0.170274 ] [ 0.743644 0.795595 0.170274 ] [ 0.664121 0 0.944527 ] [ 0.347944 0.5 0.057612 ] [ 0.267312 0.705482 0.830655 ] [ 0.267312 0.294518 0.830655 ] [ 0.275685 0 0.112736 ] [ 0.22762 0 0.613874 ] [ 0.234939 0.706296 0.330409 ] [ 0.234939 0.293704 0.330409 ] [ 0.163985 0.5 0.555498 ] ] } "species" { "source-value" [ "Cr" "Co" "Co" "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" 4.78290342 "source-unit" "angstrom" } "b" { "source-value" 5.83449542 "source-unit" "angstrom" } "c" { "source-value" 9.88283777 "source-unit" "angstrom" } "beta" { "source-value" 90.88885893 "source-unit" "degree" } }