{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.684543 0.014951 ] [ 0.75 0.013623 0.195843 ] [ 0.25 0.513623 0.304157 ] [ 0.75 0.486377 0.695843 ] [ 0.25 0.184543 0.485049 ] [ 0.75 0.815457 0.514951 ] [ 0.25 0.986377 0.804157 ] [ 0.25 0.315457 0.985049 ] [ 0.25 0.944783 0.374957 ] [ 0.75 0.123082 0.947909 ] [ 0.25 0.876918 0.052091 ] [ 0.25 0.204855 0.222769 ] [ 0.25 0.295145 0.722769 ] [ 0.75 0.376918 0.447909 ] [ 0.75 0.795145 0.777231 ] [ 0.25 0.623082 0.552091 ] [ 0.75 0.704855 0.277231 ] [ 0.75 0.444783 0.125043 ] [ 0.75 0.055217 0.625043 ] [ 0.25 0.555217 0.874957 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.93768094 "source-unit" "angstrom" } "b" { "source-value" 10.86433843 "source-unit" "angstrom" } "c" { "source-value" 10.8892894 "source-unit" "angstrom" } }