{ "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" [ [ 0.596617 0.17158 0.355266 ] [ 0.094373 0.514929 0.329563 ] [ 0.438229 0.880274 0.905923 ] [ 0.493591 0.313876 0.055843 ] [ 0.196298 0.383691 0.622428 ] [ 0.666606 0.846241 0.533061 ] [ 0.016285 0.83821 0.144716 ] ] } "species" { "source-value" [ "Nb" "Nb" "Si" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.71333117 "source-unit" "angstrom" } "b" { "source-value" 6.74006337 "source-unit" "angstrom" } "c" { "source-value" 8.04445759 "source-unit" "angstrom" } "alpha" { "source-value" 110.20812599 "source-unit" "degree" } "beta" { "source-value" 99.88891104 "source-unit" "degree" } "gamma" { "source-value" 89.89968313 "source-unit" "degree" } }