[ { "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" 4.6758 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.6758e-10 } "binding-potential-energy-per-atom" { "source-value" -6.469343264034283 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.036503061496102e-18 } "binding-potential-energy-per-formula" { "source-value" -19.408029792102848 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.109509184488306e-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" [ 1.7074297 5.5572308 0.61663684 0.80756635 0.98497057 0.74793842 0.9969066 0.20204035 0.25264207 0.99989309 0.035461869 0.51323582 0.24617458 0.083896097 0.52293394 0.75547437 0.08302919 0.99569107 0.74892563 0.25157935 0.59463883 0.30469447 0.18254993 0.63585328 0.68417573 0.17921587 0.096043915 0.19734536 0.15047486 0.13751665 0.81140907 0.15528798 0.62293079 0.18993911 0.98635679 0.26093242 0.50288623 0.12877333 0.36772419 0.31236922 0.13624089 0.38928995 0.688764 0.13622449 0.37874596 0.18648457 0.029908068 0.37890743 0.81349889 0.029759506 0.86143481 0.18578291 0.19568882 0.88172886 0.81226921 0.19669 ] } } { "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" 4.6758 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.6758e-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" [ 1.7074297 5.5572308 0.61663684 0.80756635 0.98497057 0.74793842 0.9969066 0.20204035 0.25264207 0.99989309 0.035461869 0.51323582 0.24617458 0.083896097 0.52293394 0.75547437 0.08302919 0.99569107 0.74892563 0.25157935 0.59463883 0.30469447 0.18254993 0.63585328 0.68417573 0.17921587 0.096043915 0.19734536 0.15047486 0.13751665 0.81140907 0.15528798 0.62293079 0.18993911 0.98635679 0.26093242 0.50288623 0.12877333 0.36772419 0.31236922 0.13624089 0.38928995 0.688764 0.13622449 0.37874596 0.18648457 0.029908068 0.37890743 0.81349889 0.029759506 0.86143481 0.18578291 0.19568882 0.88172886 0.81226921 0.19669 ] } } ]