{ "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" [ [ 0.27078 0.17033 0.443995 ] [ 0.744554 0.672686 0.925517 ] [ 0.255446 0.327314 0.074483 ] [ 0.72922 0.82967 0.556005 ] [ 0.194039 0.879776 0.101651 ] [ 0.805961 0.120224 0.898349 ] [ 0.310693 0.608084 0.395777 ] [ 0.689307 0.391916 0.604223 ] [ 0.10502 0.439831 0.68709 ] [ 0.301611 0.62223 0.844889 ] [ 0.822568 0.113957 0.323816 ] [ 0.89498 0.560169 0.31291 ] [ 0.389156 0.066908 0.823411 ] [ 0.177432 0.886043 0.676184 ] [ 0.698389 0.37777 0.155111 ] [ 0.610844 0.933092 0.176589 ] [ 0.168049 0.773094 0.811741 ] [ 0.838091 0.904975 0.064731 ] [ 0.849923 0.515852 0.165668 ] [ 0.530537 0.603503 0.740205 ] [ 0.053394 0.038348 0.296476 ] [ 0.946606 0.961652 0.703524 ] [ 0.65197 0.984353 0.321638 ] [ 0.028926 0.425063 0.368518 ] [ 0.831951 0.226906 0.188259 ] [ 0.304003 0.63029 0.001979 ] [ 0.330808 0.414012 0.574309 ] [ 0.528407 0.213959 0.795777 ] [ 0.469463 0.396497 0.259795 ] [ 0.720656 0.184304 0.469755 ] [ 0.471593 0.786041 0.204223 ] [ 0.279344 0.815696 0.530245 ] [ 0.483141 0.070875 0.119505 ] [ 0.150077 0.484148 0.834332 ] [ 0.161909 0.095025 0.935269 ] [ 0.96835 0.292209 0.708432 ] [ 0.971074 0.574937 0.631482 ] [ 0.34803 0.015647 0.678362 ] [ 0.669192 0.585988 0.425691 ] [ 0.695997 0.36971 0.998021 ] [ 0.03165 0.707791 0.291568 ] [ 0.516859 0.929125 0.880495 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Nd" "Nd" "Nd" "Nd" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.72460249266 "source-unit" "angstrom" } "b" { "source-value" 9.03183656532 "source-unit" "angstrom" } "c" { "source-value" 10.2283639704 "source-unit" "angstrom" } "alpha" { "source-value" 86.4848879134 "source-unit" "degree" } "beta" { "source-value" 73.5825571499 "source-unit" "degree" } "gamma" { "source-value" 86.4548388289 "source-unit" "degree" } }