{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.000654 0.250168 0.500606 ] [ 0.274619 0.16093 0.320272 ] [ 0.722202 0.845064 0.675875 ] [ 0.276396 0.654702 0.32628 ] [ 0.278091 0.407825 0.815296 ] [ 0.277149 0.916578 0.817879 ] [ 0.72341 0.338903 0.681393 ] [ 0.722443 0.093534 0.186091 ] [ 0.723152 0.58524 0.183175 ] [ 0.000287 0.750213 0.500265 ] [ 0.001019 0.499505 0.001279 ] [ 0.997096 0.999755 0.997511 ] [ 0.995675 0.876571 0.246458 ] [ 0.628462 0.704784 0.411119 ] [ 0.003998 0.376159 0.249551 ] [ 0.006869 0.996022 0.500635 ] [ 0.634787 0.202375 0.401401 ] [ 0.633723 0.449267 0.903059 ] [ 0.629246 0.95192 0.897996 ] [ 0.362279 0.297295 0.592508 ] [ 0.996977 0.125326 0.749986 ] [ 0.993329 0.505106 0.498602 ] [ 0.996446 0.748169 0.000471 ] [ 0.997098 0.248339 0.000692 ] [ 0.368816 0.794524 0.582423 ] [ 0.370723 0.539507 0.08938 ] [ 0.367908 0.043173 0.085236 ] [ 0.004567 0.62502 0.752965 ] ] } "species" { "source-value" [ "Li" "La" "La" "La" "La" "La" "La" "La" "La" "Cu" "Cu" "Cu" "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" 7.09102527 "source-unit" "angstrom" } "b" { "source-value" 7.57231371 "source-unit" "angstrom" } "c" { "source-value" 8.45853557 "source-unit" "angstrom" } "alpha" { "source-value" 116.44042252 "source-unit" "degree" } "beta" { "source-value" 96.89403974 "source-unit" "degree" } "gamma" { "source-value" 105.59337754 "source-unit" "degree" } }