[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_mC168_12_e7i10j_7j" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 30.728 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.0728e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" "x7" "z7" "x8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" "x12" "y12" "z12" "x13" "y13" "z13" "x14" "y14" "z14" "x15" "y15" "z15" "x16" "y16" "z16" "x17" "y17" "z17" "x18" "y18" "z18" "x19" "y19" "z19" "x20" "y20" "z20" "x21" "y21" "z21" "x22" "y22" "z22" "x23" "y23" "z23" "x24" "y24" "z24" "x25" "y25" "z25" ] } "parameter-values" { "source-value" [ 0.27515946 0.96745639 155.744 0.91153368 0.59218576 0.22659989 0.35788929 0.6500571 0.69633274 0.1858939 0.83664234 0.42958244 0.70761935 0.85377219 0.063718742 0.91646797 0.4687778 0.48676995 0.20543734 0.54540526 0.54828816 0.26028253 0.71587899 0.42652344 0.29681272 0.67441089 0.28736339 0.27613598 0.38023435 0.66916151 0.27877287 0.75604816 0.34746627 0.26656179 0.34998634 0.75704261 0.21078285 0.91846181 0.33934826 0.20460747 0.51429359 0.56628577 0.7897735 0.86966001 0.13767628 0.26956142 0.30160475 0.3830988 0.3128261 0.43487027 0.4314203 0.31447234 0.62415782 0.24849573 0.18689935 0.38966825 0.61550245 0.18669535 0.6627754 0.66448365 0.31270768 0.80577456 0.44581643 0.81447596 0.73690854 0.82412851 0.18644305 0.028242935 ] } "binding-potential-energy-per-atom" { "source-value" -6.69091479398938 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.072002734301471e-18 } "binding-potential-energy-per-formula" { "source-value" -20.072744381968143 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.216008202904413e-18 } "coordinates-file" { "source-value" "instance-1.poscar" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A2B_mC168_12_e7i10j_7j" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 30.728 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.0728e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" "x7" "z7" "x8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" "x12" "y12" "z12" "x13" "y13" "z13" "x14" "y14" "z14" "x15" "y15" "z15" "x16" "y16" "z16" "x17" "y17" "z17" "x18" "y18" "z18" "x19" "y19" "z19" "x20" "y20" "z20" "x21" "y21" "z21" "x22" "y22" "z22" "x23" "y23" "z23" "x24" "y24" "z24" "x25" "y25" "z25" ] } "parameter-values" { "source-value" [ 0.27515946 0.96745639 155.744 0.91153368 0.59218576 0.22659989 0.35788929 0.6500571 0.69633274 0.1858939 0.83664234 0.42958244 0.70761935 0.85377219 0.063718742 0.91646797 0.4687778 0.48676995 0.20543734 0.54540526 0.54828816 0.26028253 0.71587899 0.42652344 0.29681272 0.67441089 0.28736339 0.27613598 0.38023435 0.66916151 0.27877287 0.75604816 0.34746627 0.26656179 0.34998634 0.75704261 0.21078285 0.91846181 0.33934826 0.20460747 0.51429359 0.56628577 0.7897735 0.86966001 0.13767628 0.26956142 0.30160475 0.3830988 0.3128261 0.43487027 0.4314203 0.31447234 0.62415782 0.24849573 0.18689935 0.38966825 0.61550245 0.18669535 0.6627754 0.66448365 0.31270768 0.80577456 0.44581643 0.81447596 0.73690854 0.82412851 0.18644305 0.028242935 ] } "cell-cauchy-stress" { "source-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-unit" "eV/angstrom^3" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "temperature" { "source-value" 0.0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "coordinates-file" { "source-value" "instance-2.poscar" } } ]