{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "species" { "source-value" [ "P" "P" "P" "P" "P" "P" "P" "P" ] } "short-name" { "source-value" "orthorhombic" } "basis-atom-coordinates" { "source-value" [ [ 0.000000000 0.9000000000E-01 0.9800000000E-01 ] [ 0.5000000000 0.9000000000E-01 0.5980000000 ] [ 0.000000000 0.9100000000 0.9020000000 ] [ 0.5000000000 0.9100000000 0.4020000000 ] [ 0.000000000 0.4100000000 0.5980000000 ] [ 0.5000000000 0.4100000000 0.9800000000E-01 ] [ 0.000000000 0.5900000000 0.4020000000 ] [ 0.5000000000 0.5900000000 0.9020000000 ] ] } "space-group" { "source-value" "Bmab" } "wyckoff-multiplicity-and-letter" { "source-value" [ "8f" ] } "wyckoff-coordinates" { "source-value" [ [ 0 0.09 0.098 ] ] } "wyckoff-species" { "source-value" [ "P" ] } "temperature" { "source-unit" "K" "source-value" 297 } "cauchy-stress" { "source-unit" "atm" "source-value" [ -1 -1 -1 0 0 0 ] } "a" { "source-unit" "angstrom" "source-value" 3.31 } "b" { "source-unit" "angstrom" "source-value" 4.38 } "c" { "source-unit" "angstrom" "source-value" 10.5 } }