{ "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" [ [ 0.007261 0.66471 0.249315 ] [ 0.507261 0.33529 0.250685 ] [ 0.007261 0.66471 0.750685 ] [ 0.507261 0.33529 0.749315 ] [ 0.501116 0.84246 0 ] [ 0.001116 0.15754 0.5 ] [ 0.005509 0.171039 0 ] [ 0.505509 0.828961 0.5 ] [ 0.144822 0.851563 0 ] [ 0.628087 0.145261 0 ] [ 0.102972 0.312849 0.261501 ] [ 0.602972 0.687151 0.238499 ] [ 0.128087 0.854739 0.5 ] [ 0.644822 0.148437 0.5 ] [ 0.602972 0.687151 0.761501 ] [ 0.102972 0.312849 0.738499 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Al" "Al" "Co" "Co" "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" 5.00330702 "source-unit" "angstrom" } "b" { "source-value" 5.50301743 "source-unit" "angstrom" } "c" { "source-value" 6.24076164 "source-unit" "angstrom" } }