{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.221655 0.280351 0.072366 ] [ 0.689852 0.184329 0.568586 ] [ 0.242507 0.002926 0.754759 ] [ 0.247487 0.502241 0.739653 ] [ 0.760199 0.502607 0.248913 ] [ 0.751931 0.000825 0.243317 ] [ 0.240165 0.756022 0.083921 ] [ 0.263231 0.242932 0.41535 ] [ 0.739754 0.754626 0.583134 ] [ 0.760263 0.247376 0.914057 ] [ 0.146032 0.881321 0.976791 ] [ 0.072377 0.633876 0.223036 ] [ 0.235058 0.741405 0.696497 ] [ 0.281039 0.585162 0.985762 ] [ 0.19182 0.389161 0.518222 ] [ 0.065542 0.0903 0.30767 ] [ 0.451692 0.917131 0.171774 ] [ 0.26026 0.258447 0.826627 ] [ 0.657087 0.890848 0.475681 ] [ 0.434673 0.37163 0.28066 ] [ 0.562647 0.623998 0.712374 ] [ 0.359211 0.127267 0.531626 ] [ 0.739454 0.752191 0.193809 ] [ 0.554485 0.085785 0.81798 ] [ 0.94274 0.912018 0.68274 ] [ 0.798376 0.59798 0.483337 ] [ 0.704939 0.402892 0.017734 ] [ 0.762959 0.24856 0.323738 ] [ 0.921984 0.358883 0.769997 ] [ 0.865397 0.135528 0.028824 ] ] } "species" { "source-value" [ "Li" "Li" "Cr" "Cr" "Cr" "Cr" "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" 6.73254702 "source-unit" "angstrom" } "b" { "source-value" 6.97414839 "source-unit" "angstrom" } "c" { "source-value" 8.03872066 "source-unit" "angstrom" } "alpha" { "source-value" 89.96172501 "source-unit" "degree" } "beta" { "source-value" 90.67258056 "source-unit" "degree" } "gamma" { "source-value" 116.05798906 "source-unit" "degree" } }