{ "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" [ [ 0.863152 0.392833 0.879864 ] [ 0.681955 0.959887 0.055286 ] [ 0.710953 0.490439 0.507531 ] [ 0.478245 0.561163 0.142617 ] [ 0.521755 0.438837 0.857383 ] [ 0.289047 0.509561 0.492469 ] [ 0.318045 0.040113 0.944714 ] [ 0.136848 0.607167 0.120136 ] [ 0.998268 0.196297 0.642643 ] [ 0.731691 0.307229 0.222796 ] [ 0.883569 0.768219 0.818438 ] [ 0.437285 0.134479 0.569072 ] [ 0.562715 0.865521 0.430928 ] [ 0.116431 0.231781 0.181562 ] [ 0.268309 0.692771 0.777204 ] [ 0.001732 0.803703 0.357357 ] [ 0.804417 0.202008 0.020622 ] [ 0.811022 0.317348 0.48815 ] [ 0.953557 0.96372 0.157245 ] [ 0.74903 0.567947 0.281951 ] [ 0.949996 0.594506 0.711494 ] [ 0.687617 0.04149 0.633314 ] [ 0.852465 0.84475 0.494424 ] [ 0.462952 0.278298 0.025945 ] [ 0.602697 0.352541 0.712102 ] [ 0.838031 0.566856 0.989753 ] [ 0.416451 0.321379 0.354529 ] [ 0.629034 0.030857 0.235721 ] [ 0.370966 0.969143 0.764279 ] [ 0.583549 0.678621 0.645471 ] [ 0.161969 0.433144 0.010247 ] [ 0.397303 0.647459 0.287898 ] [ 0.537048 0.721702 0.974055 ] [ 0.147535 0.15525 0.505576 ] [ 0.312383 0.95851 0.366686 ] [ 0.050004 0.405494 0.288506 ] [ 0.250969 0.432053 0.718049 ] [ 0.046443 0.03628 0.842755 ] [ 0.188978 0.682652 0.51185 ] [ 0.195583 0.797992 0.979378 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.73081908 "source-unit" "angstrom" } "b" { "source-value" 8.57623838 "source-unit" "angstrom" } "c" { "source-value" 8.6434378 "source-unit" "angstrom" } "alpha" { "source-value" 83.36270945 "source-unit" "degree" } "beta" { "source-value" 112.65779094 "source-unit" "degree" } "gamma" { "source-value" 112.97876633 "source-unit" "degree" } }