{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbca" } "basis-atom-coordinates" { "source-value" [ [ 0.853993 0.26571 0.425995 ] [ 0.353993 0.23429 0.574005 ] [ 0.146007 0.76571 0.074005 ] [ 0.646007 0.73429 0.925995 ] [ 0.146007 0.73429 0.574005 ] [ 0.646007 0.76571 0.425995 ] [ 0.853993 0.23429 0.925995 ] [ 0.353993 0.26571 0.074005 ] [ 0.11673 0.006254 0.327296 ] [ 0.61673 0.493746 0.672704 ] [ 0.88327 0.506254 0.172704 ] [ 0.38327 0.993746 0.827296 ] [ 0.88327 0.993746 0.672704 ] [ 0.38327 0.506254 0.327296 ] [ 0.11673 0.493746 0.827296 ] [ 0.61673 0.006254 0.172704 ] [ 0.51169 0.118482 0.393502 ] [ 0.01169 0.381518 0.606498 ] [ 0.48831 0.618482 0.106498 ] [ 0.98831 0.881518 0.893502 ] [ 0.48831 0.881518 0.606498 ] [ 0.98831 0.618482 0.393502 ] [ 0.51169 0.381518 0.893502 ] [ 0.01169 0.118482 0.106498 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.40187942 "source-unit" "angstrom" } "b" { "source-value" 6.41812433 "source-unit" "angstrom" } "c" { "source-value" 11.61303765 "source-unit" "angstrom" } }