{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.686133 0.306418 0.366462 ] [ 0.313867 0.693582 0.633538 ] [ 0.39438 0.278035 0.882035 ] [ 0.60562 0.721965 0.117965 ] [ 0.181104 0.384143 0.1952 ] [ 0.818896 0.615857 0.8048 ] [ 0.810459 0.124689 0.81812 ] [ 0.189541 0.875311 0.18188 ] [ 0 0 0.5 ] [ 0.319015 0.512344 0.973737 ] [ 0.680985 0.487656 0.026263 ] [ 0.50443 0.078031 0.817464 ] [ 0.49557 0.921969 0.182536 ] [ 0.900279 0.394936 0.719384 ] [ 0.099721 0.605064 0.280616 ] [ 0.293917 0.174144 0.119374 ] [ 0.706083 0.825856 0.880626 ] [ 0.097556 0.12785 0.758002 ] [ 0.479256 0.559132 0.321374 ] [ 0.520744 0.440868 0.678626 ] [ 0.107609 0.770129 0.927305 ] [ 0.892391 0.229871 0.072695 ] [ 0.718329 0.992659 0.558553 ] [ 0.281671 0.007341 0.441447 ] [ 0.922303 0.719384 0.574524 ] [ 0.077697 0.280616 0.425476 ] [ 0.902444 0.87215 0.241998 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.00401908902 "source-unit" "angstrom" } "b" { "source-value" 7.31191708245 "source-unit" "angstrom" } "c" { "source-value" 7.55517216143 "source-unit" "angstrom" } "alpha" { "source-value" 94.439358464 "source-unit" "degree" } "beta" { "source-value" 93.1026928888 "source-unit" "degree" } "gamma" { "source-value" 115.766512486 "source-unit" "degree" } }