{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.764007 0.245783 0.903149 ] [ 0.251266 0.466545 0.723655 ] [ 0.748734 0.966545 0.276345 ] [ 0.235993 0.745783 0.096851 ] [ 0.799607 0.759393 0.670859 ] [ 0.200393 0.259393 0.329141 ] [ 0.725264 0.25106 0.580943 ] [ 0.274736 0.75106 0.419057 ] [ 0.698975 0.748776 0.959395 ] [ 0.301025 0.248776 0.040605 ] [ 0.945511 0.754918 0.923605 ] [ 0.371762 0.277583 0.900602 ] [ 0.526491 0.716473 0.834265 ] [ 0.781783 0.064599 0.695902 ] [ 0.834691 0.436452 0.685172 ] [ 0.142442 0.726506 0.57776 ] [ 0.42283 0.279921 0.539117 ] [ 0.57717 0.779921 0.460883 ] [ 0.857558 0.226506 0.42224 ] [ 0.218217 0.564599 0.304098 ] [ 0.165309 0.936452 0.314828 ] [ 0.473509 0.216473 0.165735 ] [ 0.628238 0.777583 0.099398 ] [ 0.054489 0.254918 0.076395 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "P" "P" "C" "C" "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" 5.09793096 "source-unit" "angstrom" } "b" { "source-value" 6.50441936 "source-unit" "angstrom" } "c" { "source-value" 8.29841638 "source-unit" "angstrom" } "beta" { "source-value" 95.25864675 "source-unit" "degree" } }