{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.356898 0.75 ] [ 0 0.643102 0.25 ] [ 0.5 0.856898 0.75 ] [ 0.5 0.143102 0.25 ] [ 0.753564 0.970222 0.75 ] [ 0.246436 0.029778 0.25 ] [ 0.753564 0.029778 0.25 ] [ 0.246436 0.970222 0.75 ] [ 0 0.244329 0.954293 ] [ 0 0.755671 0.454293 ] [ 0 0.755671 0.045707 ] [ 0 0.244329 0.545707 ] [ 0.253564 0.470222 0.75 ] [ 0.746436 0.529778 0.25 ] [ 0.253564 0.529778 0.25 ] [ 0.746436 0.470222 0.75 ] [ 0.5 0.744329 0.954293 ] [ 0.5 0.255671 0.454293 ] [ 0.5 0.255671 0.045707 ] [ 0.5 0.744329 0.545707 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Cr" "Cr" "Cr" "Cr" "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" 5.55340302506 "source-unit" "angstrom" } "b" { "source-value" 8.47746090726 "source-unit" "angstrom" } "c" { "source-value" 6.48492494 "source-unit" "angstrom" } }