{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I2cm" } "basis-atom-coordinates" { "source-value" [ [ 0.499488 0.520264 0.846549 ] [ 0.499488 0.479736 0.153451 ] [ 0.999488 0.979736 0.846549 ] [ 0.999488 0.020264 0.153451 ] [ 0.999488 0.020264 0.346549 ] [ 0.999488 0.979736 0.653451 ] [ 0.499488 0.479736 0.346549 ] [ 0.499488 0.520264 0.653451 ] [ 0.502039 0.5 0 ] [ 0.002039 0 0 ] [ 0.002039 0 0.5 ] [ 0.502039 0.5 0.5 ] [ 0.470609 0.929758 0.25 ] [ 0.970609 0.570242 0.25 ] [ 0.970609 0.429758 0.75 ] [ 0.470609 0.070242 0.75 ] [ 0.002779 0.498575 0.922775 ] [ 0.002779 0.501425 0.077225 ] [ 0.502779 0.001425 0.922775 ] [ 0.502779 0.998575 0.077225 ] [ 0.502779 0.998575 0.422775 ] [ 0.502779 0.001425 0.577225 ] [ 0.002779 0.501425 0.422775 ] [ 0.002779 0.498575 0.577225 ] [ 0.62473 0.624599 0.25 ] [ 0.12473 0.875401 0.25 ] [ 0.25229 0.249503 0.929977 ] [ 0.25229 0.750497 0.070023 ] [ 0.75229 0.250497 0.929977 ] [ 0.75229 0.749503 0.070023 ] [ 0.751912 0.74816 0.933107 ] [ 0.751912 0.25184 0.066893 ] [ 0.251912 0.75184 0.933107 ] [ 0.251912 0.24816 0.066893 ] [ 0.536074 0.948613 0.8219 ] [ 0.536074 0.051387 0.1781 ] [ 0.036074 0.551387 0.8219 ] [ 0.036074 0.448613 0.1781 ] [ 0.12473 0.124599 0.75 ] [ 0.62473 0.375401 0.75 ] [ 0.75229 0.749503 0.429977 ] [ 0.75229 0.250497 0.570023 ] [ 0.25229 0.750497 0.429977 ] [ 0.25229 0.249503 0.570023 ] [ 0.251912 0.24816 0.433107 ] [ 0.251912 0.75184 0.566893 ] [ 0.751912 0.25184 0.433107 ] [ 0.751912 0.74816 0.566893 ] [ 0.036074 0.448613 0.3219 ] [ 0.036074 0.551387 0.6781 ] [ 0.536074 0.051387 0.3219 ] [ 0.536074 0.948613 0.6781 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "La" "La" "La" "La" "Ga" "Ga" "Ga" "Ga" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" "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" 5.49388041661 "source-unit" "angstrom" } "b" { "source-value" 5.62792910754 "source-unit" "angstrom" } "c" { "source-value" 23.3207355178 "source-unit" "angstrom" } }