{ "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" [ [ 0.460242 0.75 0.231339 ] [ 0.960242 0.25 0.268661 ] [ 0.039758 0.75 0.731339 ] [ 0.539758 0.25 0.768661 ] [ 0.421192 0.25 0.092684 ] [ 0.921192 0.75 0.407316 ] [ 0.078808 0.25 0.592684 ] [ 0.578808 0.75 0.907316 ] [ 0.66611 0.75 0.069691 ] [ 0.766175 0.25 0.104696 ] [ 0.25018 0.028718 0.173915 ] [ 0.25018 0.471282 0.173915 ] [ 0.75018 0.528718 0.326085 ] [ 0.75018 0.971282 0.326085 ] [ 0.266175 0.75 0.395304 ] [ 0.16611 0.25 0.430309 ] [ 0.83389 0.75 0.569691 ] [ 0.733825 0.25 0.604696 ] [ 0.24982 0.028718 0.673915 ] [ 0.24982 0.471282 0.673915 ] [ 0.74982 0.528718 0.826085 ] [ 0.74982 0.971282 0.826085 ] [ 0.233825 0.75 0.895304 ] [ 0.33389 0.25 0.930309 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "As" "As" "As" "As" "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" 4.94183894 "source-unit" "angstrom" } "b" { "source-value" 5.8134242 "source-unit" "angstrom" } "c" { "source-value" 10.22486193 "source-unit" "angstrom" } }