{ "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" [ [ 0.66419 0.415887 0.250223 ] [ 0.529424 0.491557 0.750498 ] [ 0.33581 0.584113 0.749777 ] [ 0.470576 0.508443 0.249502 ] [ 0.455171 0.225485 0.739279 ] [ 0.593806 0.152404 0.24797 ] [ 0.950955 0.575729 0.253941 ] [ 0.81798 0.651591 0.762196 ] [ 0.406194 0.847596 0.75203 ] [ 0.544829 0.774515 0.260721 ] [ 0.18202 0.348409 0.237804 ] [ 0.049045 0.424271 0.746059 ] [ 0.625303 0.53466 0.133598 ] [ 0.50839 0.388757 0.365504 ] [ 0.374697 0.46534 0.866402 ] [ 0.49161 0.611243 0.634496 ] [ 0.453274 0.329916 0.126716 ] [ 0.680553 0.593241 0.373189 ] [ 0.319447 0.406759 0.626811 ] [ 0.546726 0.670084 0.873284 ] [ 0.70635 0.867813 0.140143 ] [ 0.943458 0.218532 0.605186 ] [ 0.139917 0.199269 0.360517 ] [ 0.841686 0.380768 0.379673 ] [ 0.98316 0.704133 0.118281 ] [ 0.223078 0.687916 0.878634 ] [ 0.158314 0.619232 0.620327 ] [ 0.776922 0.312084 0.121366 ] [ 0.258032 0.076975 0.589892 ] [ 0.542568 0.924029 0.61681 ] [ 0.381527 0.996836 0.111005 ] [ 0.29365 0.132187 0.859857 ] [ 0.056542 0.781468 0.394814 ] [ 0.741968 0.923025 0.410108 ] [ 0.697547 0.444225 0.87866 ] [ 0.302453 0.555775 0.12134 ] [ 0.926279 0.847188 0.912726 ] [ 0.860083 0.800731 0.639483 ] [ 0.457432 0.075971 0.38319 ] [ 0.073721 0.152812 0.087274 ] [ 0.650399 0.395777 0.622899 ] [ 0.349601 0.604223 0.377101 ] [ 0.01684 0.295867 0.881719 ] [ 0.618473 0.003164 0.888995 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.54993673 "source-unit" "angstrom" } "b" { "source-value" 12.30994585 "source-unit" "angstrom" } "c" { "source-value" 15.90818912 "source-unit" "angstrom" } "alpha" { "source-value" 98.11624603 "source-unit" "degree" } "beta" { "source-value" 95.68527621 "source-unit" "degree" } "gamma" { "source-value" 117.71363558 "source-unit" "degree" } }