{ "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" [ [ 0.868407 0.263154 0.168087 ] [ 0.131593 0.736846 0.831913 ] [ 0.881939 0.615248 0.424751 ] [ 0.118061 0.384752 0.575249 ] [ 0.881497 0.560092 0.251273 ] [ 0.118503 0.439908 0.748727 ] [ 0.926916 0.083164 0.664512 ] [ 0.290296 0.176541 0.67032 ] [ 0.709704 0.823459 0.32968 ] [ 0.073084 0.916836 0.335488 ] [ 0.873798 0.171647 0.548048 ] [ 0.126213 0.747304 0.222374 ] [ 0.645949 0.624284 0.214873 ] [ 0.873787 0.252696 0.777626 ] [ 0.126202 0.828353 0.451952 ] [ 0.648634 0.70678 0.444625 ] [ 0.351366 0.29322 0.555375 ] [ 0.354051 0.375716 0.785127 ] [ 0.887155 0.622159 0.934557 ] [ 0.142155 0.982974 0.884377 ] [ 0.382866 0.74774 0.936246 ] [ 0.112845 0.377841 0.065443 ] [ 0.624947 0.218993 0.288897 ] [ 0.375053 0.781007 0.711103 ] [ 0.123253 0.342321 0.290141 ] [ 0.876747 0.657679 0.709859 ] [ 0.617134 0.25226 0.063754 ] [ 0.857845 0.017026 0.115623 ] ] } "species" { "source-value" [ "Ta" "Ta" "P" "P" "P" "P" "P" "P" "P" "P" "S" "S" "S" "S" "S" "S" "S" "S" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.08650868417 "source-unit" "angstrom" } "b" { "source-value" 9.63895358679 "source-unit" "angstrom" } "c" { "source-value" 14.1172645034 "source-unit" "angstrom" } "alpha" { "source-value" 103.632728334 "source-unit" "degree" } "beta" { "source-value" 86.8942146873 "source-unit" "degree" } "gamma" { "source-value" 111.15099375 "source-unit" "degree" } }