{ "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" [ [ 0.236695 0.75 0.08087 ] [ 0.749602 0.993292 0.26072 ] [ 0.749602 0.506708 0.26072 ] [ 0.250398 0.493292 0.73928 ] [ 0.250398 0.006708 0.73928 ] [ 0.763305 0.25 0.91913 ] [ 0.219055 0.25 0.339548 ] [ 0.780945 0.75 0.660452 ] [ 0.295649 0.75 0.414459 ] [ 0.704351 0.25 0.585541 ] [ 0.273227 0.25 0.057734 ] [ 0.726773 0.75 0.942266 ] [ 0.706381 0.75 0.081586 ] [ 0.051258 0.25 0.117627 ] [ 0.473739 0.25 0.143932 ] [ 0.213448 0.942534 0.305394 ] [ 0.213448 0.557466 0.305394 ] [ 0.621547 0.75 0.441405 ] [ 0.840127 0.25 0.418001 ] [ 0.159873 0.75 0.581999 ] [ 0.378453 0.25 0.558595 ] [ 0.786552 0.442534 0.694606 ] [ 0.786552 0.057466 0.694606 ] [ 0.526261 0.75 0.856068 ] [ 0.948742 0.75 0.882373 ] [ 0.293619 0.25 0.918414 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "V" "V" "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" 5.28698801 "source-unit" "angstrom" } "b" { "source-value" 6.9998885 "source-unit" "angstrom" } "c" { "source-value" 9.21368537 "source-unit" "angstrom" } "beta" { "source-value" 91.30408043 "source-unit" "degree" } }