{ "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" [ [ 0.30327 0.259799 0.057286 ] [ 0.739823 0.040372 0.778314 ] [ 0.968159 0.22702 0.278092 ] [ 0.035665 0.779849 0.729679 ] [ 0.254239 0.960026 0.212627 ] [ 0.690783 0.731074 0.940939 ] [ 0.945595 0.802884 0.326724 ] [ 0.384013 0.323471 0.526582 ] [ 0.988779 0.612085 0.071504 ] [ 0.519304 0.412407 0.90179 ] [ 0.692188 0.540287 0.2461 ] [ 0.084609 0.072339 0.462402 ] [ 0.561051 0.247601 0.704908 ] [ 0.80321 0.408046 0.05302 ] [ 0.896073 0.511696 0.41119 ] [ 0.62198 0.532509 0.604843 ] [ 0.244107 0.039847 0.64033 ] [ 0.603656 0.33133 0.391492 ] [ 0.660307 0.192484 0.042139 ] [ 0.38132 0.902919 0.490031 ] [ 0.38432 0.029075 0.843269 ] [ 0.858082 0.474709 0.797951 ] [ 0.857755 0.289714 0.54649 ] [ 0.140002 0.709773 0.451031 ] [ 0.142635 0.527644 0.202283 ] [ 0.623393 0.970367 0.157561 ] [ 0.615204 0.095295 0.50624 ] [ 0.348417 0.809126 0.95788 ] [ 0.39627 0.668898 0.608614 ] [ 0.756244 0.959954 0.361163 ] [ 0.376595 0.466788 0.394836 ] [ 0.102338 0.48931 0.589713 ] [ 0.197949 0.594144 0.947439 ] [ 0.437601 0.75015 0.293419 ] [ 0.915342 0.928155 0.538632 ] [ 0.307828 0.459151 0.75458 ] [ 0.479491 0.585947 0.098643 ] [ 0.010458 0.388157 0.927187 ] [ 0.615295 0.674025 0.472045 ] [ 0.053097 0.196279 0.67482 ] [ 0.560343 0.443347 0.730972 ] [ 0.731473 0.575103 0.086476 ] [ 0.879856 0.712688 0.442319 ] [ 0.356147 0.090967 0.516456 ] [ 0.539289 0.222115 0.878161 ] [ 0.075847 0.05961 0.7447 ] [ 0.682797 0.347091 0.228611 ] [ 0.988377 0.321702 0.066824 ] [ 0.836051 0.477885 0.567948 ] [ 0.330686 0.260043 0.322362 ] [ 0.170947 0.735206 0.283157 ] [ 0.345134 0.87036 0.650985 ] [ 0.318413 0.990399 0.988053 ] [ 0.703916 0.009998 0.012131 ] [ 0.653621 0.129372 0.34686 ] [ 0.93633 0.007361 0.009343 ] [ 0.828442 0.266692 0.715649 ] [ 0.668188 0.739015 0.676552 ] [ 0.164173 0.523651 0.433286 ] [ 0.01127 0.681086 0.933715 ] [ 0.316812 0.651499 0.770724 ] [ 0.922745 0.939745 0.257227 ] [ 0.46153 0.776618 0.120338 ] [ 0.641541 0.907709 0.481739 ] [ 0.119551 0.287284 0.56 ] [ 0.267698 0.424764 0.914179 ] [ 0.437872 0.553983 0.267446 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "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" 9.22149204109 "source-unit" "angstrom" } "b" { "source-value" 12.5099810774 "source-unit" "angstrom" } "c" { "source-value" 12.5716065314 "source-unit" "angstrom" } "alpha" { "source-value" 114.097048652 "source-unit" "degree" } "beta" { "source-value" 103.943499844 "source-unit" "degree" } "gamma" { "source-value" 103.742416565 "source-unit" "degree" } }