{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.4523459 0.4778673 0.765296 ] [ 0.8876723 1.989638 2.471047 ] [ 2.135329 1.164008 0.2412907 ] [ 2.495776 0.5844002 2.912252 ] [ 2.604983 2.71818 1.724062 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.523459e-11 4.778673e-11 7.65296e-11 ] [ 8.876723e-11 1.989638e-10 2.471047e-10 ] [ 2.135329e-10 1.164008e-10 2.412907e-11 ] [ 2.495776e-10 5.844002e-11 2.912252e-10 ] [ 2.604983e-10 2.71818e-10 1.724062e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.9995304 -3.1852616 2.0566719 ] [ -5.8753242 -0.4405602 2.1196146 ] [ 6.8633274 1.4939013 -3.0729023 ] [ 1.0791142 -0.737131 -0.4732732 ] [ 4.9324131 2.8690515 -0.630111 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.121448396345887e-08 -5.103351666652002e-09 3.295151634836316e-09 ] [ -9.413307072860464e-09 -7.058552524949722e-10 3.395996957226343e-09 ] [ 1.099626270117605e-08 2.393493736642727e-09 -4.923332223062549e-09 ] [ 1.728931542413295e-09 -1.181014054666925e-09 -7.582672562912026e-10 ] [ 7.902596952947653e-09 4.596727237171171e-09 -1.009549112708909e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.897542775408901 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.642375292528087e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.4450211 0.4182338 1.0404911 ] [ 0.5840455 2.1252586 2.6552468 ] [ 2.5230883 1.083887 0.1577305 ] [ 2.3619364 0.5156708 2.4881217 ] [ 2.6620149 2.7910433 1.7723576 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.450211e-11 4.182338e-11 1.0404911e-10 ] [ 5.840455e-11 2.1252586e-10 2.6552468e-10 ] [ 2.5230883e-10 1.083887e-10 1.577305e-11 ] [ 2.3619364e-10 5.156708e-11 2.4881217e-10 ] [ 2.6620149e-10 2.7910433e-10 1.7723576e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.06e-05 -4.1e-05 -5.1e-06 ] [ 1.89e-05 1.61e-05 -1.79e-05 ] [ -3.13e-05 1.02e-05 -2.7e-05 ] [ -1.73e-05 3.6e-06 1.75e-05 ] [ 1.91e-05 1.12e-05 3.26e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.698307218048e-14 -6.56892414528e-14 -8.17110076608e-15 ] [ 3.028113813312e-14 2.579504359488e-14 -2.867896151232001e-14 ] [ -5.014812823104e-14 1.634220153216e-14 -4.32587687616e-14 ] [ -2.771765553984e-14 5.76783583488e-15 2.8038090864e-14 ] [ 3.060157345728e-14 1.794437815296e-14 5.223095783807999e-14 ] ] } "relaxed-potential-energy" { "source-value" -5.786807775408899 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.271488126823796e-19 } }