{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.514558 0.25 0.780824 ] [ 0.014558 0.75 0.719176 ] [ 0.985442 0.25 0.280824 ] [ 0.485442 0.75 0.219176 ] [ 0.42144 0.25 0.096072 ] [ 0.92144 0.75 0.403928 ] [ 0.07856 0.25 0.596072 ] [ 0.57856 0.75 0.903928 ] [ 0.243967 0.75 0.401389 ] [ 0.716017 0.544372 0.832417 ] [ 0.716017 0.955628 0.832417 ] [ 0.256033 0.75 0.901389 ] [ 0.702629 0.75 0.043437 ] [ 0.743967 0.25 0.098611 ] [ 0.283983 0.044372 0.167583 ] [ 0.216017 0.455628 0.667583 ] [ 0.783983 0.544372 0.332417 ] [ 0.783983 0.955628 0.332417 ] [ 0.283983 0.455628 0.167583 ] [ 0.202629 0.25 0.456563 ] [ 0.797371 0.75 0.543437 ] [ 0.756033 0.25 0.598611 ] [ 0.216017 0.044372 0.667583 ] [ 0.297371 0.25 0.956563 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "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" 4.75715776 "source-unit" "angstrom" } "b" { "source-value" 5.97505293 "source-unit" "angstrom" } "c" { "source-value" 10.318124 "source-unit" "angstrom" } }