{ "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 0.867603 0.951354 ] [ 0.25 0.132397 0.048646 ] [ 0.75 0.632397 0.451354 ] [ 0.25 0.367603 0.548646 ] [ 0.75 0.936356 0.62786 ] [ 0.25 0.063644 0.37214 ] [ 0.75 0.563644 0.12786 ] [ 0.25 0.436356 0.87214 ] [ 0.75 0.203536 0.776881 ] [ 0.25 0.796464 0.223119 ] [ 0.75 0.296464 0.276881 ] [ 0.25 0.703536 0.723119 ] [ 0.75 0.505354 0.686903 ] [ 0.25 0.494646 0.313097 ] [ 0.75 0.994646 0.186903 ] [ 0.25 0.005354 0.813097 ] [ 0.75 0.179058 0.513495 ] [ 0.25 0.820942 0.486505 ] [ 0.75 0.320942 0.013495 ] [ 0.25 0.679058 0.986505 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "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" 3.844194 "source-unit" "angstrom" } "b" { "source-value" 10.33223511 "source-unit" "angstrom" } "c" { "source-value" 10.45526473 "source-unit" "angstrom" } }