{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.998125 0.804513 ] [ 0.75 0.001875 0.195487 ] [ 0.25 0.498125 0.695487 ] [ 0.75 0.501875 0.304513 ] [ 0.25 0.32322 0.081271 ] [ 0.75 0.67678 0.918729 ] [ 0.75 0.17678 0.581271 ] [ 0.25 0.82322 0.418729 ] [ 0.25 0.705453 0.084964 ] [ 0.25 0.205453 0.415036 ] [ 0.75 0.294547 0.915036 ] [ 0.75 0.794547 0.584964 ] [ 0.25 0.535436 0.085184 ] [ 0.75 0.464564 0.914816 ] [ 0.25 0.035436 0.414816 ] [ 0.75 0.964564 0.585184 ] [ 0.975523 0.235217 0.989552 ] [ 0.475523 0.764783 0.010448 ] [ 0.524477 0.735217 0.510448 ] [ 0.024477 0.264783 0.489552 ] [ 0.024477 0.764783 0.010448 ] [ 0.524477 0.235217 0.989552 ] [ 0.475523 0.264783 0.489552 ] [ 0.975523 0.735217 0.510448 ] [ 0.75 0.73619 0.731525 ] [ 0.25 0.26381 0.268475 ] [ 0.75 0.23619 0.768475 ] [ 0.25 0.76381 0.231525 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Mg" "Mg" "Mg" "Mg" "P" "P" "P" "P" "O" "O" "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" 5.59356784 "source-unit" "angstrom" } "b" { "source-value" 9.06120151 "source-unit" "angstrom" } "c" { "source-value" 9.89958613 "source-unit" "angstrom" } }