{ "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" [ [ 0.489108 0.164732 0.216268 ] [ 0.510892 0.835268 0.783732 ] [ 0.182465 0.436049 0.77373 ] [ 0.108271 0.857269 0.87888 ] [ 0.891729 0.142731 0.12112 ] [ 0.817535 0.563951 0.22627 ] [ 0.524164 0.778742 0.426471 ] [ 0.475836 0.221258 0.573529 ] [ 0.549866 0.797408 0.097544 ] [ 0.450134 0.202592 0.902456 ] [ 0.775965 0.515376 0.541218 ] [ 0.863549 0.128427 0.781497 ] [ 0.224035 0.484624 0.458782 ] [ 0.136451 0.871573 0.218503 ] [ 0.395214 0.714235 0.927852 ] [ 0.223654 0.354555 0.53389 ] [ 0.675288 0.981159 0.178311 ] [ 0.160427 0.997087 0.143274 ] [ 0.604786 0.285765 0.072148 ] [ 0.946254 0.570918 0.702089 ] [ 0.324712 0.018841 0.821689 ] [ 0.617912 0.340617 0.455113 ] [ 0.776346 0.645445 0.46611 ] [ 0.839573 0.002913 0.856726 ] [ 0.028812 0.298589 0.86824 ] [ 0.382088 0.659383 0.544887 ] [ 0.700335 0.07208 0.617456 ] [ 0.053746 0.429082 0.297911 ] [ 0.556447 0.685987 0.193247 ] [ 0.971188 0.701411 0.13176 ] [ 0.443553 0.314013 0.806753 ] [ 0.299665 0.92792 0.382544 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "B" "B" "B" "B" "B" "B" "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" 6.18968718 "source-unit" "angstrom" } "b" { "source-value" 7.76637415 "source-unit" "angstrom" } "c" { "source-value" 9.03871815 "source-unit" "angstrom" } "alpha" { "source-value" 111.60474236 "source-unit" "degree" } "beta" { "source-value" 107.1068196 "source-unit" "degree" } "gamma" { "source-value" 96.98880799 "source-unit" "degree" } }