{ "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" [ [ 0.191528 0.280511 0.735854 ] [ 0.808472 0.719489 0.264146 ] [ 0.694387 0.289545 0.737088 ] [ 0.305613 0.710455 0.262912 ] [ 0.925418 0.327196 0.241761 ] [ 0.074582 0.672804 0.758239 ] [ 0.468634 0.324426 0.22236 ] [ 0.531366 0.675574 0.77764 ] [ 0 0 0 ] [ 0.251115 0.125645 0.431985 ] [ 0.748885 0.874355 0.568015 ] [ 0.675184 0.042293 0.334467 ] [ 0.324816 0.957707 0.665533 ] [ 0.145155 0.958602 0.292964 ] [ 0.854845 0.041398 0.707036 ] [ 0.878066 0.221747 0.034658 ] [ 0.121934 0.778253 0.965342 ] [ 0.433488 0.25269 0.410481 ] [ 0.566512 0.74731 0.589519 ] [ 0.273267 0.195904 0.020467 ] [ 0.726733 0.804096 0.979533 ] [ 0.089733 0.230493 0.422737 ] [ 0.910267 0.769507 0.577263 ] [ 0.698695 0.272507 0.263306 ] [ 0.301305 0.727493 0.736694 ] [ 0.015979 0.549746 0.265124 ] [ 0.984021 0.450254 0.734876 ] [ 0.489601 0.54305 0.207203 ] [ 0.510399 0.45695 0.792797 ] [ 0.355964 0.088373 0.641653 ] [ 0.644036 0.911627 0.358347 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Si" "Si" "Si" "Si" "Sn" "B" "B" "H" "H" "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" 7.06568971 "source-unit" "angstrom" } "b" { "source-value" 7.47851341 "source-unit" "angstrom" } "c" { "source-value" 7.73809804 "source-unit" "angstrom" } "alpha" { "source-value" 89.72718825 "source-unit" "degree" } "beta" { "source-value" 116.97344786 "source-unit" "degree" } "gamma" { "source-value" 103.16536428 "source-unit" "degree" } }