{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.161099 0 ] [ 0.832659 0.183298 0.828483 ] [ 0.5 0.138604 0.5 ] [ 0.819812 0.183478 0.317926 ] [ 0.180188 0.183478 0.682074 ] [ 0.167341 0.183298 0.171517 ] [ 0 0.661099 0 ] [ 0.332659 0.683298 0.828483 ] [ 0 0.638604 0.5 ] [ 0.319812 0.683478 0.317926 ] [ 0.680188 0.683478 0.682074 ] [ 0.667341 0.683298 0.171517 ] [ 0.327381 0.96195 0.829149 ] [ 0.93514 0.162576 0.128958 ] [ 0.594571 0.16589 0.789696 ] [ 0.270762 0.161034 0.470729 ] [ 0.06486 0.162576 0.871042 ] [ 0.405429 0.16589 0.210304 ] [ 0.729238 0.161034 0.529271 ] [ 0.176718 0.868389 0.173767 ] [ 0.323282 0.368389 0.826233 ] [ 0 0.355153 0.5 ] [ 0.172619 0.46195 0.170851 ] [ 0.827381 0.46195 0.829149 ] [ 0.43514 0.662576 0.128958 ] [ 0.094571 0.66589 0.789696 ] [ 0.770762 0.661034 0.470729 ] [ 0.56486 0.662576 0.871042 ] [ 0.905429 0.66589 0.210304 ] [ 0.229238 0.661034 0.529271 ] [ 0.676718 0.368389 0.173767 ] [ 0.823282 0.868389 0.826233 ] [ 0.5 0.855153 0.5 ] [ 0.672619 0.96195 0.170851 ] [ 0 0.971921 0.5 ] [ 0.5 0.471921 0.5 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.79424628 "source-unit" "angstrom" } "b" { "source-value" 6.63160324 "source-unit" "angstrom" } "c" { "source-value" 7.12327832 "source-unit" "angstrom" } "beta" { "source-value" 112.77789673 "source-unit" "degree" } }