{ "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" [ [ 0.032294 0.060847 0.080752 ] [ 0.318772 0.72419 0.15252 ] [ 0.5831 0.907637 0.217079 ] [ 0.82924 0.546169 0.256492 ] [ 0.078073 0.141792 0.335949 ] [ 0.192654 0.38005 0.402372 ] [ 0.520205 0.03995 0.43903 ] [ 0.850555 0.696585 0.524411 ] [ 0.881181 0.766999 0.65274 ] [ 0.2424 0.491178 0.745135 ] [ 0.206933 0.407319 0.604327 ] [ 0.567179 0.131187 0.696657 ] [ 0.609319 0.225072 0.837269 ] [ 0.995169 0.98603 0.931331 ] [ 0.937773 0.86852 0.791115 ] [ 0.322721 0.631138 0.885654 ] [ 0.335295 0.672988 0.965981 ] [ 0.67756 0.366886 0.999519 ] [ 0.012448 0.035305 0.003903 ] [ 0.365389 0.729416 0.089935 ] [ 0.711094 0.454794 0.183919 ] [ 0.483302 0.95866 0.36841 ] [ 0.140224 0.205916 0.273926 ] [ 0.852036 0.704712 0.458161 ] [ 0.547443 0.094158 0.630566 ] [ 0.185896 0.371585 0.54127 ] [ 0.908856 0.819751 0.722709 ] [ 0.649227 0.297214 0.902426 ] [ 0.273845 0.54832 0.812988 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.83947565 "source-unit" "angstrom" } "b" { "source-value" 3.85277433 "source-unit" "angstrom" } "c" { "source-value" 35.09439757 "source-unit" "angstrom" } "alpha" { "source-value" 92.75187453 "source-unit" "degree" } "beta" { "source-value" 88.8436156 "source-unit" "degree" } "gamma" { "source-value" 119.57706021 "source-unit" "degree" } }