{ "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" [ [ 0.207286 0.113354 0.730807 ] [ 0.792714 0.886646 0.269193 ] [ 0 0 0 ] [ 0.974687 0.252511 0.669704 ] [ 0.344598 0.189861 0.559344 ] [ 0.421278 0.961441 0.814219 ] [ 0.894477 0.250393 0.966817 ] [ 0.578722 0.038559 0.185781 ] [ 0.655402 0.810139 0.440656 ] [ 0.902483 0.091809 0.293021 ] [ 0.025313 0.747489 0.330296 ] [ 0.105523 0.749607 0.033183 ] [ 0.704902 0.693652 0.216949 ] [ 0.295098 0.306348 0.783051 ] [ 0.097517 0.908191 0.706979 ] [ 0.565154 0.762934 0.550068 ] [ 0.434846 0.237066 0.449932 ] [ 0.970484 0.216133 0.31314 ] [ 0.354421 0.426254 0.813112 ] [ 0.17016 0.597284 0.054409 ] [ 0.559226 0.87042 0.862014 ] [ 0.440774 0.12958 0.137986 ] [ 0.830679 0.337818 0.627183 ] [ 0.029516 0.783867 0.68686 ] [ 0.169321 0.662182 0.372817 ] [ 0.645579 0.573746 0.186888 ] [ 0.829839 0.402716 0.945591 ] ] } "species" { "source-value" [ "Mn" "Mn" "Pt" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "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" 6.69001623 "source-unit" "angstrom" } "b" { "source-value" 7.5567557 "source-unit" "angstrom" } "c" { "source-value" 10.19952703 "source-unit" "angstrom" } "alpha" { "source-value" 69.88523745 "source-unit" "degree" } "beta" { "source-value" 83.84616786 "source-unit" "degree" } "gamma" { "source-value" 86.10515788 "source-unit" "degree" } }