[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A10B2C8D_aP42_2_10i_2i_8i_i" } "stoichiometric-species" { "source-value" [ "H" "Na" "O" "Si" ] } "a" { "source-value" 8.4121 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.412100000000001e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "alpha" "beta" "gamma" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "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" ] } "parameter-values" { "source-value" [ 0.80542314 0.99354501 74.6769 115.1404 84.7802 0.49256353 0.79509943 0.29149478 0.52559136 0.63463798 0.49251267 0.71087813 0.7557197 0.87551459 0.76230683 0.5026926 0.90464434 0.86909942 0.62415311 0.21248928 0.84785382 0.40501349 0.16261781 0.89020626 0.10982233 0.70555892 0.70675874 0.042313054 0.71039863 0.95154496 0.19660701 0.93200099 0.54856217 0.040912943 0.13050689 0.84728246 0.73925426 0.60532321 0.61182367 0.34507592 0.31733875 0.93852705 0.82650247 0.17258608 0.63814438 0.99043972 0.86632645 0.87102466 0.22168163 0.99976509 0.67018412 0.083937598 0.16077302 0.57691235 0.65851272 0.40319258 0.69996167 0.64327651 0.81037067 0.85190192 0.46852843 0.25753903 0.76717587 0.072932276 0.62423425 0.77691542 0.032837926 0.049759541 ] } "binding-potential-energy-per-atom" { "source-value" -4.172802143175477 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.685566092100871e-19 } "binding-potential-energy-per-formula" { "source-value" -87.62884500668501 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.403968879341183e-17 } "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" "A10B2C8D_aP42_2_10i_2i_8i_i" } "stoichiometric-species" { "source-value" [ "H" "Na" "O" "Si" ] } "a" { "source-value" 8.4121 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.412100000000001e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "alpha" "beta" "gamma" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "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" ] } "parameter-values" { "source-value" [ 0.80542314 0.99354501 74.6769 115.1404 84.7802 0.49256353 0.79509943 0.29149478 0.52559136 0.63463798 0.49251267 0.71087813 0.7557197 0.87551459 0.76230683 0.5026926 0.90464434 0.86909942 0.62415311 0.21248928 0.84785382 0.40501349 0.16261781 0.89020626 0.10982233 0.70555892 0.70675874 0.042313054 0.71039863 0.95154496 0.19660701 0.93200099 0.54856217 0.040912943 0.13050689 0.84728246 0.73925426 0.60532321 0.61182367 0.34507592 0.31733875 0.93852705 0.82650247 0.17258608 0.63814438 0.99043972 0.86632645 0.87102466 0.22168163 0.99976509 0.67018412 0.083937598 0.16077302 0.57691235 0.65851272 0.40319258 0.69996167 0.64327651 0.81037067 0.85190192 0.46852843 0.25753903 0.76717587 0.072932276 0.62423425 0.77691542 0.032837926 0.049759541 ] } "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" } } ]