{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.391017 0.000658 0.714265 ] [ 0.608983 0.999342 0.285735 ] [ 0.772393 0.221583 0.461509 ] [ 0.759108 0.782005 0.354251 ] [ 0.227607 0.778417 0.538491 ] [ 0.595682 0.234431 0.835057 ] [ 0.240892 0.217995 0.645749 ] [ 0.404318 0.765569 0.164943 ] [ 0.977401 0.229315 0.077456 ] [ 0.554853 0.774443 0.737955 ] [ 0.445147 0.225557 0.262045 ] [ 0.022599 0.770685 0.922544 ] ] } "species" { "source-value" [ "Mo" "Mo" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.46835397245 "source-unit" "angstrom" } "b" { "source-value" 6.95229196991 "source-unit" "angstrom" } "c" { "source-value" 9.4970130237 "source-unit" "angstrom" } "alpha" { "source-value" 109.692225712 "source-unit" "degree" } "beta" { "source-value" 91.3319352174 "source-unit" "degree" } "gamma" { "source-value" 116.762759486 "source-unit" "degree" } }