{ "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" [ [ 0.269992 0.522633 0.60717 ] [ 0.2298 0.984357 0.393345 ] [ 0.730008 0.477367 0.39283 ] [ 0.7702 0.015643 0.606655 ] [ 0.736333 0.971121 0.127238 ] [ 0.232164 0.378969 0.127723 ] [ 0.263667 0.028879 0.872762 ] [ 0.767836 0.621031 0.872277 ] [ 0.345866 0.629784 0.884785 ] [ 0.285436 0.039852 0.695782 ] [ 0.216363 0.469576 0.303497 ] [ 0.654134 0.370216 0.115215 ] [ 0.783637 0.530424 0.696503 ] [ 0.837994 0.025263 0.872614 ] [ 0.162007 0.974737 0.127386 ] [ 0.714564 0.960148 0.304218 ] [ 0.999734 0.253089 0.501668 ] [ 0.500042 0.249086 0.501567 ] [ 0.499958 0.750914 0.498433 ] [ 0.000266 0.746911 0.498332 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Sb" "Sb" "Sb" "Sb" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.31479952517 "source-unit" "angstrom" } "b" { "source-value" 6.45053078472 "source-unit" "angstrom" } "c" { "source-value" 14.2739563477 "source-unit" "angstrom" } "alpha" { "source-value" 94.5775800391 "source-unit" "degree" } "beta" { "source-value" 93.900352019 "source-unit" "degree" } "gamma" { "source-value" 89.8950878995 "source-unit" "degree" } }