{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.489993 0.450501 0.75 ] [ 0.989993 0.049499 0.25 ] [ 0.010007 0.950501 0.75 ] [ 0.510007 0.549499 0.25 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.572341 0.016581 0.75 ] [ 0.072341 0.483419 0.25 ] [ 0.927659 0.516581 0.75 ] [ 0.427659 0.983419 0.25 ] [ 0.292113 0.707225 0.53693 ] [ 0.792113 0.792775 0.46307 ] [ 0.207887 0.207225 0.96307 ] [ 0.707887 0.292775 0.03693 ] [ 0.292113 0.707225 0.96307 ] [ 0.792113 0.792775 0.03693 ] [ 0.207887 0.207225 0.53693 ] [ 0.707887 0.292775 0.46307 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Be" "Be" "Be" "Be" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.39489544 "source-unit" "angstrom" } "b" { "source-value" 4.51740915 "source-unit" "angstrom" } "c" { "source-value" 6.27660672 "source-unit" "angstrom" } }