{ "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" [ [ 0.914211 0.523572 0.147459 ] [ 0.418658 0.026691 0.650043 ] [ 0.583984 0.977541 0.350575 ] [ 0.084077 0.474565 0.850691 ] [ 0.096943 0.73795 0.49036 ] [ 0.409248 0.759124 0.012126 ] [ 0.906434 0.251878 0.509982 ] [ 0.588137 0.241976 0.987847 ] [ 0.09331 0.093119 0.168801 ] [ 0.402235 0.409786 0.329899 ] [ 0.598423 0.587663 0.669541 ] [ 0.905266 0.910498 0.832445 ] [ 0.979097 0.250531 0.044664 ] [ 0.955028 0.0029 0.314958 ] [ 0.355943 0.027952 0.152138 ] [ 0.541749 0.506732 0.185618 ] [ 0.518102 0.251049 0.452475 ] [ 0.140366 0.472093 0.346059 ] [ 0.856973 0.518668 0.652969 ] [ 0.488445 0.752901 0.547764 ] [ 0.456144 0.494627 0.813436 ] [ 0.642762 0.973071 0.849017 ] [ 0.044324 0.005298 0.687184 ] [ 0.020141 0.749817 0.953946 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Fe" "Fe" "Fe" "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" 5.16208628 "source-unit" "angstrom" } "b" { "source-value" 6.18446414 "source-unit" "angstrom" } "c" { "source-value" 8.08296305 "source-unit" "angstrom" } "alpha" { "source-value" 78.40415892 "source-unit" "degree" } "beta" { "source-value" 88.54469922 "source-unit" "degree" } "gamma" { "source-value" 87.94630661 "source-unit" "degree" } }