{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.982769 0.250198 0.698067 ] [ 0.982769 0.749802 0.698067 ] [ 0.301789 0.250868 0.28475 ] [ 0.301789 0.749132 0.28475 ] [ 0.715159 0.750065 0.016831 ] [ 0.715159 0.249935 0.016831 ] [ 0.360555 0.5 0.987296 ] [ 0.012651 0 0.371791 ] [ 0.628133 0 0.640548 ] [ 0.359284 0 0.99276 ] [ 0.00731 0.5 0.367254 ] [ 0.632482 0.5 0.639998 ] [ 0.000083 0 0.997341 ] [ 0.999757 0.5 0.002548 ] [ 0.666662 0.251925 0.333394 ] [ 0.666662 0.748075 0.333394 ] [ 0.333395 0.251458 0.666717 ] [ 0.333395 0.748542 0.666717 ] [ 0.914867 0.5 0.808018 ] [ 0.921061 0 0.804477 ] [ 0.58064 0.254497 0.44104 ] [ 0.58064 0.745503 0.44104 ] [ 0.195073 0 0.111066 ] [ 0.192795 0.5 0.112622 ] [ 0.86039 0.253768 0.419205 ] [ 0.86039 0.746232 0.419205 ] [ 0.559024 0.246015 0.139874 ] [ 0.559024 0.753985 0.139874 ] [ 0.252461 0.248011 0.779533 ] [ 0.252461 0.751989 0.779533 ] [ 0.887567 0 0.078351 ] [ 0.888235 0.5 0.085621 ] [ 0.527128 0.252284 0.747575 ] [ 0.527128 0.747716 0.747575 ] [ 0.220659 0.746804 0.473173 ] [ 0.220659 0.253196 0.473173 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Fe" "Fe" "Fe" "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" 8.2607314 "source-unit" "angstrom" } "b" { "source-value" 6.31255743 "source-unit" "angstrom" } "c" { "source-value" 8.26888469 "source-unit" "angstrom" } "beta" { "source-value" 119.96021781 "source-unit" "degree" } }