{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.554967 0.25 0.212816 ] [ 0.445033 0.75 0.787184 ] [ 0.04069 0.75 0.282295 ] [ 0.95931 0.25 0.717705 ] [ 0.572079 0.75 0.07608 ] [ 0.116712 0.25 0.40278 ] [ 0.883288 0.75 0.59722 ] [ 0.427921 0.25 0.92392 ] [ 0.295458 0.25 0.054246 ] [ 0.253685 0.75 0.060213 ] [ 0.692752 0.93783 0.149622 ] [ 0.692752 0.56217 0.149622 ] [ 0.248896 0.435242 0.341775 ] [ 0.248896 0.064758 0.341775 ] [ 0.795266 0.25 0.386432 ] [ 0.770061 0.75 0.457238 ] [ 0.229939 0.25 0.542762 ] [ 0.204734 0.75 0.613568 ] [ 0.751104 0.935242 0.658225 ] [ 0.751104 0.564758 0.658225 ] [ 0.307248 0.43783 0.850378 ] [ 0.307248 0.06217 0.850378 ] [ 0.746315 0.25 0.939787 ] [ 0.704542 0.75 0.945754 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Sn" "Sn" "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" 4.84100802 "source-unit" "angstrom" } "b" { "source-value" 6.69136998 "source-unit" "angstrom" } "c" { "source-value" 10.73206472 "source-unit" "angstrom" } "beta" { "source-value" 93.51631952 "source-unit" "degree" } }