{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.13385 0.074182 ] [ 0 0.181679 0.750243 ] [ 0 0.818321 0.250243 ] [ 0 0.86615 0.574182 ] [ 0.5 0.63385 0.074182 ] [ 0.5 0.681679 0.750243 ] [ 0.5 0.318321 0.250243 ] [ 0.5 0.36615 0.574182 ] [ 0 0.140401 0.441811 ] [ 0 0.859599 0.941811 ] [ 0.5 0.640401 0.441811 ] [ 0.5 0.359599 0.941811 ] [ 0.5 0.164008 0.435142 ] [ 0.5 0.835992 0.935142 ] [ 0 0.664008 0.435142 ] [ 0 0.335992 0.935142 ] [ 0 0.035331 0.874673 ] [ 0 0.054371 0.6081 ] [ 0.5 0.192754 0.050774 ] [ 0 0.230869 0.265076 ] [ 0 0.769131 0.765076 ] [ 0.5 0.807246 0.550774 ] [ 0 0.964669 0.374673 ] [ 0 0.945629 0.1081 ] [ 0.5 0.535331 0.874673 ] [ 0.5 0.554371 0.6081 ] [ 0 0.692754 0.050774 ] [ 0.5 0.730869 0.265076 ] [ 0.5 0.269131 0.765076 ] [ 0 0.307246 0.550774 ] [ 0.5 0.464669 0.374673 ] [ 0.5 0.445629 0.1081 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "O" "O" "O" "O" "F" "F" "F" "F" "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" 3.63802243 "source-unit" "angstrom" } "b" { "source-value" 10.0459026 "source-unit" "angstrom" } "c" { "source-value" 10.30715709 "source-unit" "angstrom" } }