{ "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" [ [ 0.768885 0.499796 0.226138 ] [ 0.768885 0.000204 0.226138 ] [ 0.231115 0.500204 0.773862 ] [ 0.231115 0.999796 0.773862 ] [ 0.214288 0.25 0.344186 ] [ 0.785712 0.75 0.655814 ] [ 0.295382 0.75 0.430892 ] [ 0.704618 0.25 0.569108 ] [ 0.278627 0.25 0.077756 ] [ 0.721373 0.75 0.922244 ] [ 0.71407 0.75 0.059002 ] [ 0.064521 0.25 0.144142 ] [ 0.471399 0.25 0.169758 ] [ 0.208664 0.953502 0.321507 ] [ 0.208664 0.546498 0.321507 ] [ 0.847839 0.25 0.40611 ] [ 0.62001 0.75 0.459385 ] [ 0.37999 0.25 0.540615 ] [ 0.152161 0.75 0.59389 ] [ 0.791336 0.453502 0.678493 ] [ 0.791336 0.046498 0.678493 ] [ 0.528601 0.75 0.830242 ] [ 0.935479 0.75 0.855858 ] [ 0.28593 0.25 0.940998 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Co" "Co" "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" 5.3672399 "source-unit" "angstrom" } "b" { "source-value" 6.60087653 "source-unit" "angstrom" } "c" { "source-value" 9.12896469 "source-unit" "angstrom" } "beta" { "source-value" 92.81453383 "source-unit" "degree" } }