{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.389876 0 ] [ 0 0.889876 0 ] [ 0.249692 0.75093 0.624366 ] [ 0.248734 0.751853 0.124841 ] [ 0.250308 0.25093 0.375634 ] [ 0.251266 0.251853 0.875159 ] [ 0.749692 0.25093 0.624366 ] [ 0.748734 0.251853 0.124841 ] [ 0.750308 0.75093 0.375634 ] [ 0.751266 0.751853 0.875159 ] [ 0.99967 0.387781 0.251946 ] [ 0.999397 0.112562 0.747106 ] [ 0.000603 0.112562 0.252894 ] [ 0.00033 0.387781 0.748054 ] [ 0.246579 0.887671 0.874826 ] [ 0.251869 0.388081 0.627482 ] [ 0.253421 0.387671 0.125174 ] [ 0.248131 0.888081 0.372518 ] [ 0.250277 0.111202 0.625329 ] [ 0.247177 0.611741 0.873708 ] [ 0.249723 0.611202 0.374671 ] [ 0.252823 0.111741 0.126292 ] [ 0.5 0.387605 0.5 ] [ 0.5 0.112809 0.5 ] [ 0.5 0.117165 0 ] [ 0.49967 0.887781 0.251946 ] [ 0.499397 0.612562 0.747106 ] [ 0.500603 0.612562 0.252894 ] [ 0.50033 0.887781 0.748054 ] [ 0.746579 0.387671 0.874826 ] [ 0.751869 0.888081 0.627482 ] [ 0.753421 0.887671 0.125174 ] [ 0.748131 0.388081 0.372518 ] [ 0.750277 0.611202 0.625329 ] [ 0.747177 0.111741 0.873708 ] [ 0.749723 0.111202 0.374671 ] [ 0.752823 0.611741 0.126292 ] [ 0 0.887605 0.5 ] [ 0 0.612809 0.5 ] [ 0 0.617165 0 ] [ 0 0.250293 0 ] [ 0 0.249803 0.5 ] [ 0.499557 0.249508 0.750362 ] [ 0.500443 0.249508 0.249638 ] [ 0.5 0.750293 0 ] [ 0.5 0.749803 0.5 ] [ 0.999557 0.749508 0.750362 ] [ 0.000443 0.749508 0.249638 ] [ 0.120998 0.250192 0.938267 ] [ 0.12208 0.249975 0.438438 ] [ 0.121343 0.250766 0.182365 ] [ 0.121848 0.249329 0.684008 ] [ 0 0.429699 0.5 ] [ 0 0.41133 0 ] [ 0 0.095045 0 ] [ 0 0.071482 0.5 ] [ 0.878657 0.250766 0.817635 ] [ 0.879002 0.250192 0.061733 ] [ 0.87792 0.249975 0.561562 ] [ 0.878152 0.249329 0.315992 ] [ 0.251176 0.569214 0.626277 ] [ 0.248824 0.069214 0.373723 ] [ 0.248566 0.567563 0.123621 ] [ 0.251434 0.067563 0.876379 ] [ 0.250375 0.430289 0.375422 ] [ 0.25728 0.931674 0.128963 ] [ 0.24272 0.431674 0.871037 ] [ 0.249625 0.930289 0.624578 ] [ 0.621886 0.249269 0.68826 ] [ 0.621969 0.249422 0.43374 ] [ 0.622793 0.246595 0.189124 ] [ 0.62267 0.246402 0.93351 ] [ 0.499742 0.430087 0.745476 ] [ 0.500258 0.430087 0.254524 ] [ 0.501443 0.070342 0.249135 ] [ 0.498557 0.070342 0.750865 ] [ 0.377207 0.246595 0.810876 ] [ 0.378031 0.249422 0.56626 ] [ 0.378114 0.249269 0.31174 ] [ 0.37733 0.246402 0.06649 ] [ 0.620998 0.750192 0.938267 ] [ 0.62208 0.749975 0.438438 ] [ 0.621343 0.750766 0.182365 ] [ 0.621848 0.749329 0.684008 ] [ 0.5 0.929699 0.5 ] [ 0.5 0.91133 0 ] [ 0.5 0.595045 0 ] [ 0.5 0.571482 0.5 ] [ 0.378657 0.750766 0.817635 ] [ 0.379002 0.750192 0.061733 ] [ 0.37792 0.749975 0.561562 ] [ 0.378152 0.749329 0.315992 ] [ 0.751176 0.069214 0.626277 ] [ 0.748824 0.569214 0.373723 ] [ 0.748566 0.067563 0.123621 ] [ 0.751434 0.567563 0.876379 ] [ 0.750375 0.930289 0.375422 ] [ 0.75728 0.431674 0.128963 ] [ 0.74272 0.931674 0.871037 ] [ 0.749625 0.430289 0.624578 ] [ 0.121886 0.749269 0.68826 ] [ 0.121969 0.749422 0.43374 ] [ 0.122793 0.746595 0.189124 ] [ 0.12267 0.746402 0.93351 ] [ 0.999742 0.930087 0.745476 ] [ 0.000258 0.930087 0.254524 ] [ 0.001443 0.570342 0.249135 ] [ 0.998557 0.570342 0.750865 ] [ 0.877207 0.746595 0.810876 ] [ 0.878031 0.749422 0.56626 ] [ 0.878114 0.749269 0.31174 ] [ 0.87733 0.746402 0.06649 ] ] } "species" { "source-value" [ "Sr" "Sr" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "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" "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" 11.96349111 "source-unit" "angstrom" } "b" { "source-value" 12.90743826 "source-unit" "angstrom" } "c" { "source-value" 10.69213131 "source-unit" "angstrom" } "beta" { "source-value" 116.54455452 "source-unit" "degree" } }