{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.450215 0.371085 0.249311 ] [ 0.549785 0.871085 0.750689 ] [ 0.952288 0.167054 0.232486 ] [ 0.047712 0.667054 0.767514 ] [ 0.4455 0.3226 0.756444 ] [ 0.5545 0.8226 0.243556 ] [ 0.944793 0.407013 0.981626 ] [ 0.055207 0.907013 0.018374 ] [ 0.455132 0.091212 0.483259 ] [ 0.544868 0.591212 0.516741 ] [ 0.835671 0.620348 0.559743 ] [ 0.927047 0.842826 0.832436 ] [ 0.936466 0.849895 0.201115 ] [ 0.007235 0.057802 0.014735 ] [ 0.992765 0.557802 0.985265 ] [ 0.063534 0.349895 0.798885 ] [ 0.072953 0.342826 0.167564 ] [ 0.164329 0.120348 0.440257 ] [ 0.34827 0.876555 0.003347 ] [ 0.470558 0.640963 0.316544 ] [ 0.397297 0.668582 0.681051 ] [ 0.490657 0.443436 0.523574 ] [ 0.509343 0.943436 0.476426 ] [ 0.602703 0.168582 0.318949 ] [ 0.529442 0.140963 0.683456 ] [ 0.65173 0.376555 0.996653 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "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" 5.17391465 "source-unit" "angstrom" } "b" { "source-value" 10.23043344 "source-unit" "angstrom" } "c" { "source-value" 6.93386744 "source-unit" "angstrom" } "beta" { "source-value" 90.38935087 "source-unit" "degree" } }