{ "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" [ [ 0.046849 0.888265 0.527199 ] [ 0.888362 0.054734 0.022864 ] [ 0.582483 0.763624 0.225733 ] [ 0.583856 0.76642 0.727271 ] [ 0.452188 0.582408 0.383294 ] [ 0.234879 0.546083 0.208152 ] [ 0.452161 0.584771 0.881071 ] [ 0.234608 0.545492 0.708532 ] [ 0.762685 0.455025 0.291754 ] [ 0.546351 0.417505 0.116798 ] [ 0.764833 0.450786 0.792456 ] [ 0.545953 0.412807 0.61808 ] [ 0.411706 0.235284 0.27383 ] [ 0.413688 0.231171 0.772857 ] [ 0.266121 0.870447 0.313681 ] [ 0.267847 0.869359 0.811537 ] [ 0.375772 0.729787 0.063504 ] [ 0.778726 0.787615 0.390278 ] [ 0.383133 0.733709 0.563591 ] [ 0.789007 0.781539 0.888619 ] [ 0.870841 0.625713 0.132056 ] [ 0.870251 0.624149 0.634151 ] [ 0.127078 0.376866 0.366461 ] [ 0.128583 0.370918 0.865299 ] [ 0.220104 0.214456 0.106865 ] [ 0.622436 0.269488 0.435222 ] [ 0.212448 0.217904 0.608497 ] [ 0.621747 0.265787 0.934797 ] [ 0.73209 0.126993 0.190548 ] [ 0.731212 0.128595 0.687154 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.83197879 "source-unit" "angstrom" } "b" { "source-value" 6.85717077 "source-unit" "angstrom" } "c" { "source-value" 13.69604421 "source-unit" "angstrom" } "alpha" { "source-value" 93.23755985 "source-unit" "degree" } "beta" { "source-value" 93.17031134 "source-unit" "degree" } "gamma" { "source-value" 93.37630904 "source-unit" "degree" } }