{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0.277432 0.949053 0.25 ] [ 0 0.393033 0.502614 ] [ 0.722568 0.050947 0.75 ] [ 0.772427 0.860762 0.75 ] [ 0.125584 0.793759 0.25 ] [ 0.874416 0.206241 0.75 ] [ 0.874416 0.793759 0.25 ] [ 0 0.999472 0.25 ] [ 0.227573 0.139238 0.25 ] [ 0.227573 0.860762 0.75 ] [ 0 0.393033 0.997386 ] [ 0 0.785971 0.75 ] [ 0.277432 0.050947 0.75 ] [ 0 0.214029 0.25 ] [ 0 0.606967 0.002614 ] [ 0.125584 0.206241 0.75 ] [ 0 0.000528 0.75 ] [ 0.722568 0.949053 0.25 ] [ 0 0.606967 0.497386 ] [ 0.772427 0.139238 0.25 ] [ 0.777432 0.449053 0.25 ] [ 0.5 0.893033 0.502614 ] [ 0.222568 0.550947 0.75 ] [ 0.272427 0.360762 0.75 ] [ 0.625584 0.293759 0.25 ] [ 0.374416 0.706241 0.75 ] [ 0.374416 0.293759 0.25 ] [ 0.5 0.499472 0.25 ] [ 0.727573 0.639238 0.25 ] [ 0.727573 0.360762 0.75 ] [ 0.5 0.893033 0.997386 ] [ 0.5 0.285971 0.75 ] [ 0.777432 0.550947 0.75 ] [ 0.5 0.714029 0.25 ] [ 0.5 0.106967 0.002614 ] [ 0.625584 0.706241 0.75 ] [ 0.5 0.500528 0.75 ] [ 0.222568 0.449053 0.25 ] [ 0.5 0.106967 0.497386 ] [ 0.272427 0.639238 0.25 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.653747493 "source-unit" "angstrom" } "b" { "source-value" 13.7032342691 "source-unit" "angstrom" } "c" { "source-value" 5.2756317 "source-unit" "angstrom" } }