{ "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" [ [ 0.3654 0.849953 0.571972 ] [ 0.6346 0.150047 0.428028 ] [ 0.217273 0.887896 0.177293 ] [ 0 0 0.5 ] [ 0.185497 0.394519 0.21276 ] [ 0.38329 0.267267 0.873697 ] [ 0.61671 0.732733 0.126303 ] [ 0.814503 0.605481 0.78724 ] [ 0.782727 0.112104 0.822707 ] [ 0.075733 0.744739 0.928501 ] [ 0.162254 0.646183 0.301914 ] [ 0.064555 0.260726 0.400595 ] [ 0.080132 0.138855 0.752285 ] [ 0.310601 0.505221 0.004924 ] [ 0.541035 0.961617 0.201849 ] [ 0.46894 0.545431 0.315983 ] [ 0.276549 0.166956 0.106968 ] [ 0.683956 0.967127 0.551138 ] [ 0.316044 0.032873 0.448862 ] [ 0.723451 0.833044 0.893032 ] [ 0.53106 0.454569 0.684017 ] [ 0.458965 0.038383 0.798151 ] [ 0.689399 0.494779 0.995076 ] [ 0.919868 0.861145 0.247715 ] [ 0.935445 0.739274 0.599405 ] [ 0.837746 0.353817 0.698086 ] [ 0.924267 0.255261 0.071499 ] ] } "species" { "source-value" [ "Li" "Li" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.22607673 "source-unit" "angstrom" } "b" { "source-value" 7.66982951 "source-unit" "angstrom" } "c" { "source-value" 7.90586679 "source-unit" "angstrom" } "alpha" { "source-value" 96.31744885 "source-unit" "degree" } "beta" { "source-value" 93.256328 "source-unit" "degree" } "gamma" { "source-value" 117.02491612 "source-unit" "degree" } }