{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.996552 0.998592 0.002171 ] [ 0.002274 0.008606 0.205731 ] [ 0.018802 0.979272 0.400027 ] [ 0.989701 0.995774 0.594674 ] [ 0.986893 0.988588 0.797126 ] [ 0.471913 0.47551 0.099673 ] [ 0.489925 0.501873 0.503842 ] [ 0.496351 0.50865 0.296514 ] [ 0.518426 0.521402 0.700436 ] [ 0.5222 0.522993 0.900077 ] [ 0.81234 0.807241 0.302717 ] [ 0.809101 0.800785 0.495179 ] [ 0.813233 0.818286 0.695576 ] [ 0.817025 0.818352 0.902028 ] [ 0.300046 0.692601 0.000836 ] [ 0.296254 0.689907 0.196931 ] [ 0.319222 0.679646 0.400069 ] [ 0.305898 0.697998 0.603885 ] [ 0.31302 0.702869 0.798411 ] [ 0.69064 0.302983 0.001069 ] [ 0.684578 0.304812 0.199192 ] [ 0.69113 0.310996 0.601674 ] [ 0.700578 0.315101 0.798037 ] [ 0.175284 0.180361 0.101179 ] [ 0.190297 0.184672 0.498203 ] [ 0.197297 0.189414 0.305199 ] [ 0.79121 0.797723 0.102806 ] [ 0.699964 0.299025 0.40028 ] [ 0.202185 0.20289 0.897853 ] [ 0.197663 0.203078 0.698604 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.65671429 "source-unit" "angstrom" } "b" { "source-value" 4.65672817 "source-unit" "angstrom" } "c" { "source-value" 15.06924974 "source-unit" "angstrom" } "alpha" { "source-value" 89.60087443 "source-unit" "degree" } "beta" { "source-value" 89.59687749 "source-unit" "degree" } "gamma" { "source-value" 88.39399404 "source-unit" "degree" } }