{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "S" "S" "S" "S" ] } "short-name" { "source-value" "orthorhombic" } "basis-atom-coordinates" { "source-value" [ [ 0.1150000000 0.1180000000 0.2500000000 ] [ 0.8850000000 0.8820000000 0.7500000000 ] [ 0.6150000000 0.3820000000 0.7500000000 ] [ 0.3850000000 0.6180000000 0.2500000000 ] [ 0.4780000000 0.8500000000 0.2500000000 ] [ 0.5220000000 0.1500000000 0.7500000000 ] [ 0.9780000000 0.6500000000 0.7500000000 ] [ 0.2200000000E-01 0.3500000000 0.2500000000 ] ] } "space-group" { "source-value" "Pbnm" } "wyckoff-multiplicity-and-letter" { "source-value" [ "4c" "4c" ] } "wyckoff-coordinates" { "source-value" [ [ 0.115 0.118 0.25 ] [ 0.478 -0.15 0.25 ] ] } "wyckoff-species" { "source-value" [ "Sn" "S" ] } "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" 4.33 } "b" { "source-unit" "angstrom" "source-value" 11.18 } "c" { "source-unit" "angstrom" "source-value" 3.98 } }