{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pna2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.250815 0.428764 0.665365 ] [ 0.750815 0.571236 0.334635 ] [ 0.750815 0.928764 0.834635 ] [ 0.250815 0.071236 0.165365 ] [ 0.771808 0.383959 0.880089 ] [ 0.271808 0.616041 0.119911 ] [ 0.271808 0.883959 0.619911 ] [ 0.771808 0.116041 0.380089 ] [ 0.471716 0.955431 0.508539 ] [ 0.971716 0.044569 0.491461 ] [ 0.971716 0.455431 0.991461 ] [ 0.471716 0.544569 0.008539 ] [ 0.287978 0.82778 0.339348 ] [ 0.787978 0.17222 0.660652 ] [ 0.787978 0.32778 0.160652 ] [ 0.287978 0.67222 0.839348 ] [ 0.061318 0.758058 0.446252 ] [ 0.561318 0.241942 0.553748 ] [ 0.561318 0.258058 0.053748 ] [ 0.061318 0.741942 0.946252 ] [ 0.375068 0.709227 0.458408 ] [ 0.875068 0.290773 0.541592 ] [ 0.875068 0.209227 0.041592 ] [ 0.375068 0.790773 0.958408 ] [ 0.747591 0.626041 0.659894 ] [ 0.247591 0.373959 0.340106 ] [ 0.247591 0.126041 0.840106 ] [ 0.747591 0.873959 0.159894 ] [ 0.284506 0.918877 0.522953 ] [ 0.784506 0.081123 0.477047 ] [ 0.784506 0.418877 0.977047 ] [ 0.284506 0.581123 0.022953 ] [ 0.25045 0.794663 0.43707 ] [ 0.75045 0.205337 0.56293 ] [ 0.75045 0.294663 0.06293 ] [ 0.25045 0.705337 0.93707 ] [ 0.468449 0.59943 0.690845 ] [ 0.968449 0.40057 0.309155 ] [ 0.968449 0.09943 0.809155 ] [ 0.468449 0.90057 0.190845 ] [ 0.771414 0.658755 0.513636 ] [ 0.271414 0.341245 0.486364 ] [ 0.271414 0.158755 0.986364 ] [ 0.771414 0.841245 0.013636 ] [ 0.84315 0.75229 0.736857 ] [ 0.34315 0.24771 0.263143 ] [ 0.34315 0.25229 0.763143 ] [ 0.84315 0.74771 0.236857 ] [ 0.899136 0.493217 0.692543 ] [ 0.399136 0.506783 0.307457 ] [ 0.399136 0.993217 0.807457 ] [ 0.899136 0.006783 0.192543 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "S" "S" "S" "S" "N" "N" "N" "N" "N" "N" "N" "N" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.18116425 "source-unit" "angstrom" } "b" { "source-value" 9.19703636 "source-unit" "angstrom" } "c" { "source-value" 10.03324204 "source-unit" "angstrom" } }