{ "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" [ [ 0.891311 0.25 0.705467 ] [ 0.608689 0.25 0.205467 ] [ 0.391311 0.75 0.794533 ] [ 0.108689 0.75 0.294533 ] [ 0.318204 0.25 0.903479 ] [ 0.181796 0.25 0.403479 ] [ 0.818204 0.75 0.596521 ] [ 0.681796 0.75 0.096521 ] [ 0.177113 0.084705 0.823839 ] [ 0.322887 0.084705 0.323839 ] [ 0.639153 0.25 0.88734 ] [ 0.252224 0.25 0.552578 ] [ 0.247776 0.25 0.052578 ] [ 0.860847 0.25 0.38734 ] [ 0.177113 0.415295 0.823839 ] [ 0.322887 0.415295 0.323839 ] [ 0.822887 0.584705 0.176161 ] [ 0.677113 0.584705 0.676161 ] [ 0.747776 0.75 0.447422 ] [ 0.752224 0.75 0.947422 ] [ 0.139153 0.75 0.61266 ] [ 0.360847 0.75 0.11266 ] [ 0.677113 0.915295 0.676161 ] [ 0.822887 0.915295 0.176161 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "P" "P" "P" "P" "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" 4.78708951 "source-unit" "angstrom" } "b" { "source-value" 7.25783363 "source-unit" "angstrom" } "c" { "source-value" 9.98405301 "source-unit" "angstrom" } }