{ "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" [ [ 0.671704 0.340311 0.899316 ] [ 0.000707 0.001422 0.003116 ] [ 0.999323 0.000562 0.487126 ] [ 0.340445 0.677523 0.389362 ] [ 0.823373 0.64953 0.230888 ] [ 0.162288 0.822552 0.718909 ] [ 0.659355 0.821979 0.71923 ] [ 0.339354 0.164433 0.215861 ] [ 0.824957 0.16557 0.215731 ] [ 0.166022 0.331798 0.705353 ] [ 0.643101 0.283628 0.496734 ] [ 0.320812 0.649258 0.023641 ] [ 0.302311 0.130001 0.594138 ] [ 0.53646 0.04099 0.344879 ] [ 0.691534 0.359748 0.108656 ] [ 0.983925 0.986508 0.308195 ] [ 0.994129 0.992106 0.818275 ] [ 0.828946 0.13245 0.596089 ] [ 0.522594 0.506263 0.32589 ] [ 0.982655 0.500403 0.325652 ] [ 0.142504 0.313034 0.108554 ] [ 0.861924 0.718668 0.607967 ] [ 0.017067 0.528247 0.813375 ] [ 0.513883 0.52635 0.810795 ] [ 0.349204 0.694242 0.606845 ] [ 0.155508 0.833986 0.106611 ] [ 0.490988 0.985574 0.816712 ] [ 0.674625 0.842865 0.109941 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Nb" "Nb" "Nb" "Fe" "Fe" "Fe" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.15583158 "source-unit" "angstrom" } "b" { "source-value" 6.22592443 "source-unit" "angstrom" } "c" { "source-value" 10.55547436 "source-unit" "angstrom" } "alpha" { "source-value" 90.74003332 "source-unit" "degree" } "beta" { "source-value" 89.78383612 "source-unit" "degree" } "gamma" { "source-value" 118.9163336 "source-unit" "degree" } }