{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.00685 0.665009 0.250464 ] [ 0.50685 0.334991 0.249536 ] [ 0.00685 0.665009 0.749536 ] [ 0.50685 0.334991 0.750464 ] [ 0.50187 0.838046 0 ] [ 0.00187 0.161954 0.5 ] [ 0.00363 0.166194 0 ] [ 0.50363 0.833806 0.5 ] [ 0.142489 0.852973 0 ] [ 0.628321 0.139932 0 ] [ 0.105011 0.319052 0.259672 ] [ 0.605011 0.680948 0.240328 ] [ 0.128321 0.860068 0.5 ] [ 0.642489 0.147027 0.5 ] [ 0.605011 0.680948 0.759672 ] [ 0.105011 0.319052 0.740328 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Al" "Al" "Ni" "Ni" "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" 4.96963944 "source-unit" "angstrom" } "b" { "source-value" 5.52313311 "source-unit" "angstrom" } "c" { "source-value" 6.14838932 "source-unit" "angstrom" } }