{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.489526 0.454344 0.748187 ] [ 0.010474 0.954344 0.751813 ] [ 0.989526 0.045656 0.248187 ] [ 0.510474 0.545656 0.251813 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.085829 0.469859 0.272788 ] [ 0.414171 0.969859 0.227212 ] [ 0.914171 0.530141 0.727212 ] [ 0.585829 0.030141 0.772788 ] [ 0.182459 0.230935 0.550226 ] [ 0.317541 0.730935 0.949774 ] [ 0.817541 0.769065 0.449774 ] [ 0.682459 0.269065 0.050226 ] [ 0.770723 0.813391 0.041115 ] [ 0.729277 0.313391 0.458885 ] [ 0.229277 0.186609 0.958885 ] [ 0.270723 0.686609 0.541115 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ca" "Ca" "Mo" "Mo" "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" 5.80884894574 "source-unit" "angstrom" } "b" { "source-value" 5.95549087 "source-unit" "angstrom" } "c" { "source-value" 8.2772346022 "source-unit" "angstrom" } "beta" { "source-value" 90.174348765 "source-unit" "degree" } }