{ "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 0 0 ] [ 0.784421 0.452874 0.817493 ] [ 0.566848 0.217627 0.71047 ] [ 0.215579 0.547126 0.182507 ] [ 0.901936 0.708766 0.277211 ] [ 0.876352 0.071291 0.619222 ] [ 0.098064 0.291234 0.722789 ] [ 0.716696 0.399794 0.583355 ] [ 0.283304 0.600206 0.416645 ] [ 0.433152 0.782373 0.28953 ] [ 0.123648 0.928709 0.380778 ] [ 0.362112 0.753433 0.776834 ] [ 0.637888 0.246567 0.223166 ] [ 0.066114 0.815127 0.264996 ] [ 0.261764 0.673526 0.289692 ] [ 0.933886 0.184873 0.735004 ] [ 0.738236 0.326474 0.710308 ] [ 0.830347 0.26858 0.110759 ] [ 0.375117 0.2303 0.099184 ] [ 0.65642 0.040701 0.329862 ] [ 0.34358 0.959299 0.670138 ] [ 0.624883 0.7697 0.900816 ] [ 0.169653 0.73142 0.889241 ] [ 0.696731 0.457671 0.352998 ] [ 0.303269 0.542329 0.647002 ] ] } "species" { "source-value" [ "Mn" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "S" "S" "N" "N" "N" "N" "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" 5.48241070163 "source-unit" "angstrom" } "b" { "source-value" 5.92536713639 "source-unit" "angstrom" } "c" { "source-value" 7.52687548564 "source-unit" "angstrom" } "alpha" { "source-value" 92.2409881386 "source-unit" "degree" } "beta" { "source-value" 104.475211878 "source-unit" "degree" } "gamma" { "source-value" 99.5251394375 "source-unit" "degree" } }