{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.228122 0.75 0.081415 ] [ 0.75367 0.996327 0.256905 ] [ 0.75367 0.503673 0.256905 ] [ 0.24633 0.496327 0.743095 ] [ 0.24633 0.003673 0.743095 ] [ 0.771878 0.25 0.918585 ] [ 0.22807 0.25 0.345076 ] [ 0.77193 0.75 0.654924 ] [ 0.309389 0.75 0.419647 ] [ 0.690611 0.25 0.580353 ] [ 0.28353 0.25 0.052887 ] [ 0.71647 0.75 0.947113 ] [ 0.740465 0.75 0.085999 ] [ 0.081445 0.25 0.127768 ] [ 0.500966 0.25 0.118353 ] [ 0.225566 0.946199 0.311413 ] [ 0.225566 0.553801 0.311413 ] [ 0.632623 0.75 0.44209 ] [ 0.81959 0.25 0.416399 ] [ 0.18041 0.75 0.583601 ] [ 0.367377 0.25 0.55791 ] [ 0.774434 0.446199 0.688587 ] [ 0.774434 0.053801 0.688587 ] [ 0.499034 0.75 0.881647 ] [ 0.918555 0.75 0.872232 ] [ 0.259535 0.25 0.914001 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Cr" "Cr" "As" "As" "C" "C" "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" 5.36406494 "source-unit" "angstrom" } "b" { "source-value" 6.84938652 "source-unit" "angstrom" } "c" { "source-value" 9.33427788 "source-unit" "angstrom" } "beta" { "source-value" 92.46434525 "source-unit" "degree" } }