[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_oP72_19_12a_6a" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 4.6915 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.6915e-10 } "binding-potential-energy-per-atom" { "source-value" -9.086697027389505 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.455849365752072e-18 } "binding-potential-energy-per-formula" { "source-value" -27.260091082168515 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.367548097256216e-18 } "parameter-names" { "source-value" [ "b/a" "c/a" "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" ] } "parameter-values" { "source-value" [ 1.7027816 5.4346797 0.73772372 0.8144258 0.98728135 0.83225342 0.042754127 0.20062195 0.33671737 0.99772104 0.034196811 0.36069645 0.29027827 0.082204023 0.61378614 0.76042953 0.085113789 0.15135827 0.83558827 0.25344419 0.42279391 0.25753836 0.18382616 0.75268456 0.73167778 0.18377174 0.92499591 0.31632091 0.1461225 0.24855535 0.86416292 0.15548696 0.43691939 0.27452822 0.9810406 0.32425704 0.55072808 0.14512123 0.25587695 0.35540798 0.13826657 0.49133552 0.72611672 0.1427995 0.26809477 0.19445621 0.029739291 0.48383284 0.81625922 0.029529968 0.75534002 0.23634505 0.1948215 0.99604045 0.86719283 0.19835539 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A2B_oP72_19_12a_6a" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 4.6915 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.6915e-10 } "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 } "parameter-names" { "source-value" [ "b/a" "c/a" "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" ] } "parameter-values" { "source-value" [ 1.7027816 5.4346797 0.73772372 0.8144258 0.98728135 0.83225342 0.042754127 0.20062195 0.33671737 0.99772104 0.034196811 0.36069645 0.29027827 0.082204023 0.61378614 0.76042953 0.085113789 0.15135827 0.83558827 0.25344419 0.42279391 0.25753836 0.18382616 0.75268456 0.73167778 0.18377174 0.92499591 0.31632091 0.1461225 0.24855535 0.86416292 0.15548696 0.43691939 0.27452822 0.9810406 0.32425704 0.55072808 0.14512123 0.25587695 0.35540798 0.13826657 0.49133552 0.72611672 0.1427995 0.26809477 0.19445621 0.029739291 0.48383284 0.81625922 0.029529968 0.75534002 0.23634505 0.1948215 0.99604045 0.86719283 0.19835539 ] } } ]