{ "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" [ [ 0.997102 0.147676 0.905151 ] [ 0.002898 0.852324 0.094849 ] [ 0.779437 0.590465 0.450126 ] [ 0.220563 0.409535 0.549874 ] [ 0.457245 0.78159 0.598061 ] [ 0.542755 0.21841 0.401939 ] [ 0.583686 0.462992 0.777321 ] [ 0.416314 0.537008 0.222679 ] [ 0.735536 0.359958 0.12052 ] [ 0.264464 0.640042 0.87948 ] [ 0.796479 0.813329 0.785691 ] [ 0.203521 0.186671 0.214309 ] [ 0.641578 0.860022 0.268911 ] [ 0.358422 0.139978 0.731089 ] [ 0.14437 0.723468 0.385294 ] [ 0.85563 0.276532 0.614706 ] ] } "species" { "source-value" [ "Fe" "Fe" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.49099990382 "source-unit" "angstrom" } "b" { "source-value" 6.51368243348 "source-unit" "angstrom" } "c" { "source-value" 6.52809028745 "source-unit" "angstrom" } "alpha" { "source-value" 97.3898014363 "source-unit" "degree" } "beta" { "source-value" 91.3043928642 "source-unit" "degree" } "gamma" { "source-value" 95.9165142878 "source-unit" "degree" } }