{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.834991 0.888009 0.082623 ] [ 0.165009 0.111991 0.917377 ] [ 0.35971 0.90016 0.613689 ] [ 0.64029 0.09984 0.386311 ] [ 0.049656 0.702869 0.301246 ] [ 0.950344 0.297131 0.698754 ] [ 0.541958 0.675003 0.295981 ] [ 0.458042 0.324997 0.704019 ] [ 0.810977 0.70917 0.6685 ] [ 0.189023 0.29083 0.3315 ] [ 0.293271 0.703997 0.935091 ] [ 0.706729 0.296003 0.064909 ] [ 0.244037 0.498019 0.769947 ] [ 0.755963 0.501981 0.230053 ] [ 0.755342 0.498679 0.723634 ] [ 0.244658 0.501321 0.276366 ] [ 0.533777 0.70955 0.053184 ] [ 0.466223 0.29045 0.946816 ] [ 0.572112 0.718691 0.555392 ] [ 0.427888 0.281309 0.444608 ] [ 0.361057 0.877673 0.370017 ] [ 0.638943 0.122327 0.629983 ] [ 0.332312 0.891053 0.847083 ] [ 0.667688 0.108947 0.152917 ] [ 0.128404 0.110046 0.146458 ] [ 0.871596 0.889954 0.853542 ] [ 0.18161 0.123202 0.686031 ] [ 0.81839 0.876798 0.313969 ] [ 0.95524 0.273932 0.454772 ] [ 0.04476 0.726068 0.545228 ] [ 0.934496 0.282383 0.93468 ] [ 0.065504 0.717617 0.06532 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" "O" "O" "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" 5.63563602602 "source-unit" "angstrom" } "b" { "source-value" 7.20385235589 "source-unit" "angstrom" } "c" { "source-value" 7.93487094273 "source-unit" "angstrom" } "alpha" { "source-value" 106.009600818 "source-unit" "degree" } "beta" { "source-value" 89.8998457658 "source-unit" "degree" } "gamma" { "source-value" 101.132161087 "source-unit" "degree" } }