{ "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 0.026824 0.893474 ] [ 0.75 0.526824 0.606526 ] [ 0.25 0.473176 0.393474 ] [ 0.25 0.973176 0.106526 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.25 0.246144 0.738377 ] [ 0.25 0.746144 0.761623 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0.75 0.753856 0.261623 ] [ 0.75 0.253856 0.238377 ] [ 0.75 0.292855 0.014096 ] [ 0.75 0.792855 0.485904 ] [ 0.25 0.207145 0.514096 ] [ 0.25 0.707145 0.985904 ] [ 0.75 0.749941 0.019678 ] [ 0.011545 0.995085 0.751201 ] [ 0.488455 0.995085 0.751201 ] [ 0.488455 0.495085 0.748799 ] [ 0.011545 0.495085 0.748799 ] [ 0.75 0.249941 0.480322 ] [ 0.25 0.750059 0.519678 ] [ 0.511545 0.504915 0.251201 ] [ 0.988455 0.504915 0.251201 ] [ 0.511545 0.004915 0.248799 ] [ 0.988455 0.004915 0.248799 ] [ 0.25 0.250059 0.980322 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.97792735 "source-unit" "angstrom" } "b" { "source-value" 6.08651566 "source-unit" "angstrom" } "c" { "source-value" 8.61039998 "source-unit" "angstrom" } }