{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.751696 0.289581 0.503905 ] [ 0.751696 0.710419 0.003905 ] [ 0.251696 0.789581 0.503905 ] [ 0.251696 0.210419 0.003905 ] [ 0.50636 0.716638 0.251048 ] [ 0.00636 0.783362 0.751048 ] [ 0.00636 0.216638 0.251048 ] [ 0.50636 0.283362 0.751048 ] [ 0.126262 0.720882 0.125242 ] [ 0.626262 0.779118 0.625242 ] [ 0.626262 0.220882 0.125242 ] [ 0.126262 0.279118 0.625242 ] [ 0.6541 0.920257 0.148731 ] [ 0.781793 0.345714 0.100313 ] [ 0.094607 0.839843 0.277671 ] [ 0.474354 0.722992 0.474804 ] [ 0.6541 0.079743 0.648731 ] [ 0.781793 0.654286 0.600313 ] [ 0.594607 0.660157 0.777671 ] [ 0.974354 0.777008 0.974804 ] [ 0.1541 0.420257 0.148731 ] [ 0.281793 0.845714 0.100313 ] [ 0.594607 0.339843 0.277671 ] [ 0.974354 0.222992 0.474804 ] [ 0.1541 0.579743 0.648731 ] [ 0.281793 0.154286 0.600313 ] [ 0.094607 0.160157 0.777671 ] [ 0.474354 0.277008 0.974804 ] ] } "species" { "source-value" [ "Li" "Li" "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" 8.57676561 "source-unit" "angstrom" } "b" { "source-value" 5.11534571 "source-unit" "angstrom" } "c" { "source-value" 8.69128111 "source-unit" "angstrom" } "beta" { "source-value" 108.83928379 "source-unit" "degree" } }