{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.048105 0.348586 ] [ 0.75 0.437125 0.25 ] [ 0.75 0.137707 0.960005 ] [ 0.25 0.562875 0.75 ] [ 0.25 0.862293 0.039995 ] [ 0.25 0.862293 0.460005 ] [ 0.75 0.231347 0.75 ] [ 0.25 0.768653 0.25 ] [ 0.75 0.048105 0.151414 ] [ 0.75 0.137707 0.539995 ] [ 0.25 0.951895 0.848586 ] [ 0.25 0.951895 0.651414 ] [ 0.75 0.616145 0.917634 ] [ 0.25 0.383855 0.082366 ] [ 0.25 0.383855 0.417634 ] [ 0.75 0.616145 0.582366 ] [ 0.25 0.324476 0.612008 ] [ 0.75 0.675524 0.112008 ] [ 0.25 0.172044 0.25 ] [ 0.75 0.827956 0.75 ] [ 0.75 0.675524 0.387992 ] [ 0.25 0.324476 0.887992 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Mo" "Mo" "Mo" "Mo" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.52751422 "source-unit" "angstrom" } "b" { "source-value" 5.67483242151 "source-unit" "angstrom" } "c" { "source-value" 12.8488596232 "source-unit" "angstrom" } }