{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_32_12" } "basis-atom-coordinates" { "source-value" [ [ 0.245129 0.995999 0.871968 ] [ 0.004001 0.754871 0.628032 ] [ 0.995999 0.245129 0.128032 ] [ 0.754871 0.004001 0.371968 ] [ 0.745129 0.504001 0.878032 ] [ 0.504001 0.745129 0.121968 ] [ 0.495999 0.254871 0.621968 ] [ 0.254871 0.495999 0.378032 ] [ 0.132771 0.867229 0.25 ] [ 0.126782 0.618033 0.008324 ] [ 0.118033 0.373218 0.758324 ] [ 0.881967 0.626782 0.258324 ] [ 0.873218 0.381967 0.508324 ] [ 0.867229 0.132771 0.75 ] [ 0.632771 0.632771 0.5 ] [ 0.626782 0.881967 0.741676 ] [ 0.618033 0.126782 0.991676 ] [ 0.381967 0.873218 0.491676 ] [ 0.373218 0.118033 0.241676 ] [ 0.367229 0.367229 0 ] [ 0.125701 0.125701 0.5 ] [ 0.874299 0.874299 0 ] [ 0.625701 0.374299 0.25 ] [ 0.374299 0.625701 0.75 ] [ 0.143035 0.881955 0.482989 ] [ 0.130977 0.101485 0.256172 ] [ 0.144387 0.38042 0.99536 ] [ 0.118045 0.856965 0.017011 ] [ 0.131877 0.615663 0.771896 ] [ 0.11958 0.644387 0.24536 ] [ 0.115663 0.368123 0.521896 ] [ 0.101485 0.130977 0.743828 ] [ 0.898515 0.869023 0.243828 ] [ 0.884337 0.631877 0.021896 ] [ 0.88042 0.355613 0.74536 ] [ 0.868123 0.384337 0.271896 ] [ 0.881955 0.143035 0.517011 ] [ 0.855613 0.61958 0.49536 ] [ 0.869023 0.898515 0.756172 ] [ 0.856965 0.118045 0.982989 ] [ 0.643035 0.618045 0.267011 ] [ 0.630977 0.398515 0.493828 ] [ 0.644387 0.11958 0.75464 ] [ 0.618045 0.643035 0.732989 ] [ 0.631877 0.884337 0.978104 ] [ 0.61958 0.855613 0.50464 ] [ 0.615663 0.131877 0.228104 ] [ 0.601485 0.369023 0.006172 ] [ 0.398515 0.630977 0.506172 ] [ 0.384337 0.868123 0.728104 ] [ 0.38042 0.144387 0.00464 ] [ 0.368123 0.115663 0.478104 ] [ 0.381955 0.356965 0.232989 ] [ 0.355613 0.88042 0.25464 ] [ 0.369023 0.601485 0.993828 ] [ 0.356965 0.381955 0.767011 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "Sn" "Sn" "Sn" "Sn" "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" "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" 8.61209466 "source-unit" "angstrom" } "c" { "source-value" 8.60018388 "source-unit" "angstrom" } }