{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.862269 0.368564 0.646575 ] [ 0.362269 0.131436 0.646575 ] [ 0.165399 0.891051 0.633678 ] [ 0.665399 0.608949 0.633678 ] [ 0.640447 0.150649 0.633329 ] [ 0.140447 0.349351 0.633329 ] [ 0.58452 0.878557 0.588909 ] [ 0.08452 0.621443 0.588909 ] [ 0.08452 0.121443 0.411091 ] [ 0.58452 0.378557 0.411091 ] [ 0.140447 0.849351 0.366671 ] [ 0.640447 0.650649 0.366671 ] [ 0.165399 0.391051 0.366322 ] [ 0.665399 0.108949 0.366322 ] [ 0.862269 0.868564 0.353425 ] [ 0.362269 0.631436 0.353425 ] [ 0.64225 0.384669 0.134485 ] [ 0.14225 0.115331 0.134485 ] [ 0.345613 0.884816 0.139607 ] [ 0.845613 0.615184 0.139607 ] [ 0.371775 0.351244 0.128044 ] [ 0.871775 0.148756 0.128044 ] [ 0.104303 0.380033 0.098752 ] [ 0.604303 0.119967 0.098752 ] [ 0.895635 0.885875 0.087041 ] [ 0.395635 0.614125 0.087041 ] [ 0.895635 0.385875 0.912959 ] [ 0.395635 0.114125 0.912959 ] [ 0.604303 0.619967 0.901248 ] [ 0.104303 0.880033 0.901248 ] [ 0.371775 0.851244 0.871956 ] [ 0.871775 0.648756 0.871956 ] [ 0.345613 0.384816 0.860393 ] [ 0.845613 0.115184 0.860393 ] [ 0.64225 0.884669 0.865515 ] [ 0.14225 0.615331 0.865515 ] [ 0.878057 0.868946 0.627307 ] [ 0.378057 0.631054 0.627307 ] [ 0.878057 0.368946 0.372693 ] [ 0.378057 0.131054 0.372693 ] [ 0.620445 0.850566 0.137898 ] [ 0.120445 0.649434 0.137898 ] [ 0.620445 0.350566 0.862102 ] [ 0.120445 0.149434 0.862102 ] [ 0.50278 0.738897 0.741145 ] [ 0.00278 0.761103 0.741145 ] [ 0.75129 0.985843 0.719557 ] [ 0.25129 0.514157 0.719557 ] [ 0.001258 0.951507 0.502076 ] [ 0.501258 0.548493 0.502076 ] [ 0.75491 0.76416 0.513563 ] [ 0.25491 0.73584 0.513563 ] [ 0.75491 0.26416 0.486437 ] [ 0.25491 0.23584 0.486437 ] [ 0.001258 0.451507 0.497924 ] [ 0.501258 0.048493 0.497924 ] [ 0.75129 0.485843 0.280443 ] [ 0.25129 0.014157 0.280443 ] [ 0.50278 0.238897 0.258855 ] [ 0.00278 0.261103 0.258855 ] [ 0.994038 0.76265 0.230636 ] [ 0.494038 0.73735 0.230636 ] [ 0.747139 0.990124 0.215269 ] [ 0.247139 0.509876 0.215269 ] [ 0.500448 0.96217 0.006658 ] [ 0.000448 0.53783 0.006658 ] [ 0.742034 0.751429 0.001588 ] [ 0.242034 0.748571 0.001588 ] [ 0.742034 0.251429 0.998412 ] [ 0.242034 0.248571 0.998412 ] [ 0.500448 0.46217 0.993342 ] [ 0.000448 0.03783 0.993342 ] [ 0.247139 0.009876 0.784731 ] [ 0.747139 0.490124 0.784731 ] [ 0.994038 0.26265 0.769364 ] [ 0.494038 0.23735 0.769364 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.11957232 "source-unit" "angstrom" } "b" { "source-value" 9.27685084 "source-unit" "angstrom" } "c" { "source-value" 9.3008472 "source-unit" "angstrom" } }