{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nm" } "basis-atom-coordinates" { "source-value" [ [ 0.489563 0.70942 0 ] [ 0.989563 0.29058 0.5 ] [ 0.009413 0.21388 0 ] [ 0.509413 0.78612 0.5 ] [ 0.000336 0.748882 0.249564 ] [ 0.000336 0.748882 0.750436 ] [ 0.500336 0.251118 0.749564 ] [ 0.500336 0.251118 0.250436 ] [ 0.075629 0.731375 0.5 ] [ 0.219103 0.4686 0.208733 ] [ 0.219103 0.4686 0.791267 ] [ 0.283579 0.966645 0.793636 ] [ 0.283579 0.966645 0.206364 ] [ 0.419357 0.233159 0.5 ] [ 0.575629 0.268625 0 ] [ 0.719103 0.5314 0.291267 ] [ 0.719103 0.5314 0.708733 ] [ 0.783579 0.033355 0.293636 ] [ 0.783579 0.033355 0.706364 ] [ 0.919357 0.766841 0 ] ] } "species" { "source-value" [ "Ca" "Ca" "Pr" "Pr" "Mn" "Mn" "Mn" "Mn" "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" 5.45841746 "source-unit" "angstrom" } "b" { "source-value" 5.50388171 "source-unit" "angstrom" } "c" { "source-value" 7.732466 "source-unit" "angstrom" } }