{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.292832 0.61959 0.629557 ] [ 0.207168 0.11959 0.870443 ] [ 0.707168 0.38041 0.370443 ] [ 0.792832 0.88041 0.129557 ] [ 0.399676 0.903385 0.308697 ] [ 0.100324 0.403385 0.191303 ] [ 0.600324 0.096615 0.691303 ] [ 0.899676 0.596615 0.808697 ] [ 0.687633 0.371153 0.926477 ] [ 0.812367 0.871153 0.573523 ] [ 0.312367 0.628847 0.073523 ] [ 0.187633 0.128847 0.426477 ] [ 0.347485 0.601598 0.282094 ] [ 0.896076 0.705707 0.506991 ] [ 0.103924 0.294293 0.493009 ] [ 0.396076 0.794293 0.006991 ] [ 0.808931 0.510517 0.064325 ] [ 0.691069 0.010517 0.435675 ] [ 0.191069 0.489483 0.935675 ] [ 0.308931 0.989483 0.564325 ] [ 0.652515 0.398402 0.717906 ] [ 0.847485 0.898402 0.782094 ] [ 0.603924 0.205707 0.993009 ] [ 0.152515 0.101598 0.217906 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Li" "Li" "Li" "Li" "B" "B" "B" "B" "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" 6.66675210157 "source-unit" "angstrom" } "b" { "source-value" 6.70737862 "source-unit" "angstrom" } "c" { "source-value" 6.9337185041 "source-unit" "angstrom" } "beta" { "source-value" 109.038547014 "source-unit" "degree" } }