{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "P" "P" "P" "P" ] } "short-name" { "source-value" "orthorhombic" } "basis-atom-coordinates" { "source-value" [ [ 0.1600000000 0.000000000 0.2500000000 ] [ 0.8400000000 0.000000000 0.7500000000 ] [ 0.6600000000 0.5000000000 0.7500000000 ] [ 0.3400000000 0.5000000000 0.2500000000 ] [ 0.6300000000 0.2000000000 0.2500000000 ] [ 0.3700000000 0.8000000000 0.7500000000 ] [ 0.1300000000 0.3000000000 0.7500000000 ] [ 0.8700000000 0.7000000000 0.2500000000 ] ] } "space-group" { "source-value" "Pbnm" } "wyckoff-multiplicity-and-letter" { "source-value" [ "4c" "4c" ] } "wyckoff-coordinates" { "source-value" [ [ 0.16 0 0.25 ] [ 0.63 0.2 0.25 ] ] } "wyckoff-species" { "source-value" [ "Cr" "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" 5.94 } "b" { "source-unit" "angstrom" "source-value" 5.366 } "c" { "source-unit" "angstrom" "source-value" 3.13 } }