{ "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 0.947646 0.647397 ] [ 0.25 0.052354 0.352603 ] [ 0.75 0.447646 0.852603 ] [ 0.25 0.552354 0.147397 ] [ 0.25 0.776707 0.285331 ] [ 0.75 0.223293 0.714669 ] [ 0.25 0.276707 0.214669 ] [ 0.75 0.723293 0.785331 ] [ 0.25 0.35034 0.961425 ] [ 0.75 0.64966 0.038575 ] [ 0.25 0.85034 0.538575 ] [ 0.75 0.14966 0.461425 ] [ 0.25 0.112763 0.818901 ] [ 0.75 0.887237 0.181099 ] [ 0.25 0.612763 0.681099 ] [ 0.75 0.387237 0.318901 ] [ 0.25 0.067108 0.058054 ] [ 0.75 0.932892 0.941946 ] [ 0.25 0.567108 0.441946 ] [ 0.75 0.432892 0.558054 ] [ 0.75 0.738813 0.424526 ] [ 0.25 0.261187 0.575474 ] [ 0.75 0.238813 0.075474 ] [ 0.25 0.761187 0.924526 ] [ 0.25 0.812628 0.063135 ] [ 0.75 0.187372 0.936865 ] [ 0.25 0.312628 0.436865 ] [ 0.75 0.687372 0.563135 ] [ 0.25 0.601857 0.903091 ] [ 0.75 0.398143 0.096909 ] [ 0.25 0.101857 0.596909 ] [ 0.75 0.898143 0.403091 ] [ 0.75 0.634996 0.311838 ] [ 0.25 0.365004 0.688162 ] [ 0.75 0.134996 0.188162 ] [ 0.25 0.865004 0.811838 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Si" "Si" "Si" "Si" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.72284846 "source-unit" "angstrom" } "b" { "source-value" 14.42962189 "source-unit" "angstrom" } "c" { "source-value" 15.87823483 "source-unit" "angstrom" } }