{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.75 0.280837 0.833194 ] [ 0.25 0.719163 0.166806 ] [ 0.25 0.780837 0.666806 ] [ 0.75 0.219163 0.333194 ] [ 0.25 0.374482 0.873793 ] [ 0.75 0.625518 0.126207 ] [ 0.75 0.874482 0.626207 ] [ 0.25 0.125518 0.373793 ] [ 0.943387 0.749817 0.628552 ] [ 0.556613 0.750183 0.128552 ] [ 0.056613 0.249817 0.871448 ] [ 0.443387 0.250183 0.371448 ] [ 0.056613 0.250183 0.371448 ] [ 0.556613 0.749817 0.628552 ] [ 0.943387 0.750183 0.128552 ] [ 0.443387 0.249817 0.871448 ] [ 0.75 0.15233 0.11192 ] [ 0.25 0.84767 0.88808 ] [ 0.25 0.65233 0.38808 ] [ 0.75 0.34767 0.61192 ] [ 0.75 0.001287 0.793061 ] [ 0.25 0.998713 0.206939 ] [ 0.25 0.501287 0.706939 ] [ 0.75 0.498713 0.293061 ] [ 0.25 0.487948 0.047492 ] [ 0.75 0.512052 0.952508 ] [ 0.75 0.987948 0.452508 ] [ 0.25 0.012052 0.547492 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "P" "P" "P" "P" "O" "O" "O" "O" "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" 6.44231566 "source-unit" "angstrom" } "b" { "source-value" 7.34000555 "source-unit" "angstrom" } "c" { "source-value" 7.49596793 "source-unit" "angstrom" } }