{ "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" [ [ 0.844072 0.002542 0.837178 ] [ 0.3208 0.496837 0.644405 ] [ 0.702522 0.020265 0.345503 ] [ 0.692768 0.509962 0.354741 ] [ 0.183246 0.501991 0.163382 ] [ 0.323704 0.997667 0.652206 ] [ 0.195238 0.995862 0.147991 ] [ 0.835888 0.239179 0.603692 ] [ 0.678579 0.268431 0.086863 ] [ 0.796125 0.489684 0.835691 ] [ 0.192182 0.755677 0.411262 ] [ 0.290229 0.733563 0.904052 ] [ 0.719379 0.044087 0.668041 ] [ 0.802376 0.068288 0.145386 ] [ 0.758398 0.297364 0.930341 ] [ 0.151861 0.254755 0.619083 ] [ 0.359025 0.255604 0.106299 ] [ 0.731474 0.262332 0.453843 ] [ 0.712488 0.430015 0.688726 ] [ 0.788923 0.456091 0.163182 ] [ 0.29781 0.555776 0.343512 ] [ 0.106221 0.557234 0.841078 ] [ 0.87186 0.763661 0.381379 ] [ 0.603017 0.669905 0.875754 ] [ 0.274142 0.746647 0.562001 ] [ 0.238518 0.741547 0.0585 ] [ 0.31229 0.947911 0.33532 ] [ 0.216865 0.937123 0.840586 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "Si" "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" 5.09569029 "source-unit" "angstrom" } "b" { "source-value" 6.95696569 "source-unit" "angstrom" } "c" { "source-value" 10.41608809 "source-unit" "angstrom" } "alpha" { "source-value" 89.36015688 "source-unit" "degree" } "beta" { "source-value" 89.87733633 "source-unit" "degree" } "gamma" { "source-value" 89.9882313 "source-unit" "degree" } }