{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ibmm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0 0.870815 ] [ 0.25 0 0.129185 ] [ 0.25 0.5 0.370815 ] [ 0.75 0.5 0.629185 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.75 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.473418 0 0.734485 ] [ 0.25 0.220269 0.51223 ] [ 0.75 0.279731 0.01223 ] [ 0.026582 0 0.734485 ] [ 0.973418 0 0.265515 ] [ 0.75 0.779731 0.48777 ] [ 0.25 0.720269 0.98777 ] [ 0.526582 0 0.265515 ] [ 0.973418 0.5 0.234485 ] [ 0.75 0.720269 0.01223 ] [ 0.25 0.779731 0.51223 ] [ 0.526582 0.5 0.234485 ] [ 0.473418 0.5 0.765515 ] [ 0.25 0.279731 0.98777 ] [ 0.75 0.220269 0.48777 ] [ 0.026582 0.5 0.765515 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Ni" "Ni" "Ni" "Ni" "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" 5.69608433 "source-unit" "angstrom" } "b" { "source-value" 5.71217426 "source-unit" "angstrom" } "c" { "source-value" 8.03328552 "source-unit" "angstrom" } }