{ "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" [ [ 0.004466 0.844582 0.592392 ] [ 0.020824 0.164346 0.750348 ] [ 0.017211 0.822714 0.923783 ] [ 0.027345 0.842247 0.256609 ] [ 0.00215 0.153444 0.424681 ] [ 0.012149 0.153481 0.090595 ] [ 0.512234 0.649364 0.408722 ] [ 0.496993 0.654032 0.083002 ] [ 0.496323 0.634972 0.743083 ] [ 0.52452 0.377737 0.909445 ] [ 0.49434 0.351747 0.579416 ] [ 0.50356 0.361212 0.240521 ] [ 0.227565 0.885433 0.697962 ] [ 0.22031 0.882295 0.365156 ] [ 0.219347 0.888626 0.033806 ] [ 0.212616 0.113673 0.533538 ] [ 0.236628 0.113612 0.198071 ] [ 0.288087 0.60223 0.852802 ] [ 0.272782 0.398788 0.687908 ] [ 0.277269 0.602565 0.188987 ] [ 0.72271 0.623791 0.974667 ] [ 0.740062 0.391883 0.802037 ] [ 0.718884 0.615544 0.637618 ] [ 0.714528 0.38119 0.469867 ] [ 0.719995 0.379376 0.136209 ] [ 0.731237 0.608909 0.30249 ] [ 0.246874 0.107243 0.867049 ] [ 0.251947 0.617863 0.513232 ] [ 0.262212 0.378103 0.347433 ] [ 0.258043 0.382776 0.013231 ] [ 0.766062 0.883451 0.807458 ] [ 0.755423 0.879136 0.485295 ] [ 0.74946 0.113108 0.646512 ] [ 0.764632 0.134459 0.972808 ] [ 0.775796 0.880641 0.152116 ] [ 0.755418 0.125427 0.311153 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.56826635 "source-unit" "angstrom" } "b" { "source-value" 5.64294292 "source-unit" "angstrom" } "c" { "source-value" 15.31514704 "source-unit" "angstrom" } "alpha" { "source-value" 89.73849876 "source-unit" "degree" } "beta" { "source-value" 89.85914782 "source-unit" "degree" } "gamma" { "source-value" 89.17274265 "source-unit" "degree" } }