{ "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" [ [ 0.427214 0.861479 0.381541 ] [ 0.072786 0.361479 0.118459 ] [ 0.572786 0.138521 0.618459 ] [ 0.927214 0.638521 0.881541 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.530263 0.189756 0.19909 ] [ 0.969737 0.689756 0.30091 ] [ 0.469737 0.810244 0.80091 ] [ 0.030263 0.310244 0.69909 ] [ 0.431964 0.353813 0.253798 ] [ 0.068036 0.853813 0.246202 ] [ 0.568036 0.646187 0.746202 ] [ 0.931964 0.146187 0.753798 ] [ 0.55389 0.079569 0.361012 ] [ 0.94611 0.579569 0.138988 ] [ 0.44611 0.920431 0.638988 ] [ 0.05389 0.420431 0.861012 ] [ 0.806177 0.197624 0.129627 ] [ 0.693823 0.697624 0.370373 ] [ 0.823368 0.37096 0.555318 ] [ 0.676632 0.87096 0.944682 ] [ 0.176632 0.62904 0.444682 ] [ 0.323368 0.12904 0.055318 ] [ 0.306177 0.302376 0.629627 ] [ 0.193823 0.802376 0.870373 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "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" 5.08014525209 "source-unit" "angstrom" } "b" { "source-value" 8.5975611 "source-unit" "angstrom" } "c" { "source-value" 7.71561512874 "source-unit" "angstrom" } "beta" { "source-value" 95.918351405 "source-unit" "degree" } }