{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.996623 0.75 0.54554 ] [ 0.496623 0.25 0.95446 ] [ 0.003377 0.25 0.45446 ] [ 0.503377 0.75 0.04554 ] [ 0.859737 0.051652 0.732717 ] [ 0.359737 0.948348 0.767283 ] [ 0.140263 0.551652 0.267283 ] [ 0.640263 0.448348 0.232717 ] [ 0.140263 0.948348 0.267283 ] [ 0.640263 0.051652 0.232717 ] [ 0.859737 0.448348 0.732717 ] [ 0.359737 0.551652 0.767283 ] [ 0.779897 0.75 0.835064 ] [ 0.279897 0.25 0.664936 ] [ 0.220103 0.25 0.164936 ] [ 0.720103 0.75 0.335064 ] [ 0.657364 0.548908 0.904459 ] [ 0.157364 0.451092 0.595541 ] [ 0.342636 0.048908 0.095541 ] [ 0.842636 0.951092 0.404459 ] [ 0.342636 0.451092 0.095541 ] [ 0.842636 0.548908 0.404459 ] [ 0.657364 0.951092 0.904459 ] [ 0.157364 0.048908 0.595541 ] [ 0.684736 0.75 0.682608 ] [ 0.184736 0.25 0.817392 ] [ 0.315264 0.25 0.317392 ] [ 0.815264 0.75 0.182608 ] [ 0.094414 0.75 0.860818 ] [ 0.594414 0.25 0.639182 ] [ 0.905586 0.25 0.139182 ] [ 0.405586 0.75 0.360818 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Si" "Si" "Si" "Si" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.21566859 "source-unit" "angstrom" } "b" { "source-value" 9.31342122 "source-unit" "angstrom" } "c" { "source-value" 14.44585691 "source-unit" "angstrom" } }