{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.998554 0.324483 0.749715 ] [ 0.498554 0.675517 0.750285 ] [ 0.998554 0.324483 0.250285 ] [ 0.498554 0.675517 0.249715 ] [ 0.498388 0.190508 0.5 ] [ 0.998388 0.809492 0 ] [ 0.502737 0.177735 0 ] [ 0.002737 0.822265 0.5 ] [ 0.889882 0.683423 0.70211 ] [ 0.389882 0.316577 0.20211 ] [ 0.30783 0.803783 0.5 ] [ 0.414173 0.896683 0 ] [ 0.80783 0.196217 0 ] [ 0.889882 0.683423 0.29789 ] [ 0.914173 0.103317 0.5 ] [ 0.389882 0.316577 0.79789 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "P" "P" "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" 5.07350874 "source-unit" "angstrom" } "b" { "source-value" 5.30863641 "source-unit" "angstrom" } "c" { "source-value" 6.23335138 "source-unit" "angstrom" } }