{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.789502 0.25 0.531478 ] [ 0.383196 0.25 0.885711 ] [ 0.210498 0.75 0.468522 ] [ 0.616804 0.75 0.114289 ] [ 0.120479 0.25 0.247597 ] [ 0.879521 0.75 0.752403 ] [ 0.051688 0.75 0.932845 ] [ 0.314709 0.441976 0.207044 ] [ 0.685291 0.558024 0.792956 ] [ 0.948312 0.25 0.067155 ] [ 0.685291 0.941976 0.792956 ] [ 0.314709 0.058024 0.207044 ] [ 0.90336 0.469437 0.300583 ] [ 0.294571 0.25 0.457192 ] [ 0.09664 0.530563 0.699417 ] [ 0.09664 0.969437 0.699417 ] [ 0.705429 0.75 0.542808 ] [ 0.90336 0.030563 0.300583 ] [ 0.625422 0.935774 0.891414 ] [ 0.366348 0.943369 0.283898 ] [ 0.374578 0.064226 0.108586 ] [ 0.764406 0.25 0.059401 ] [ 0.235594 0.75 0.940599 ] [ 0.031586 0.25 0.977205 ] [ 0.633652 0.056631 0.716102 ] [ 0.374578 0.435774 0.108586 ] [ 0.366348 0.556631 0.283898 ] [ 0.633652 0.443369 0.716102 ] [ 0.625422 0.564226 0.891414 ] [ 0.968414 0.75 0.022795 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Pt" "Pt" "N" "N" "N" "N" "N" "N" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "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" 6.76788294606 "source-unit" "angstrom" } "b" { "source-value" 7.76880347 "source-unit" "angstrom" } "c" { "source-value" 11.0849840455 "source-unit" "angstrom" } "beta" { "source-value" 100.999444106 "source-unit" "degree" } }