{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.512534 0.841503 0 ] [ 0.011133 0.673588 0.24607 ] [ 0.511133 0.326412 0.25393 ] [ 0.012534 0.158497 0.5 ] [ 0.511133 0.326412 0.74607 ] [ 0.011133 0.673588 0.75393 ] [ 0.998934 0.173264 0 ] [ 0.498934 0.826736 0.5 ] [ 0.096072 0.902388 0 ] [ 0.688428 0.177714 0 ] [ 0.098517 0.307608 0.201383 ] [ 0.598517 0.692392 0.298617 ] [ 0.188428 0.822286 0.5 ] [ 0.596072 0.097612 0.5 ] [ 0.598517 0.692392 0.701383 ] [ 0.098517 0.307608 0.798617 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "V" "V" "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" 5.60286425 "source-unit" "angstrom" } "b" { "source-value" 6.15170907 "source-unit" "angstrom" } "c" { "source-value" 7.18361117 "source-unit" "angstrom" } }