{ "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" [ [ 2.539099 2.604661 3.099024 ] [ 2.611969 4.601789 1.586924 ] [ 4.376067 2.909228 1.297188 ] [ 4.596034 1.971363 3.954157 ] [ 4.509814 4.398854 3.387028 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.539099e-10 2.604661e-10 3.099024e-10 ] [ 2.611969e-10 4.601789e-10 1.586924e-10 ] [ 4.376067e-10 2.909228e-10 1.297188e-10 ] [ 4.596034e-10 1.971363e-10 3.954157e-10 ] [ 4.509814000000001e-10 4.398854e-10 3.387028e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.6449629 -0.6743226 0.2380937 ] [ -0.7669209 1.2191023 -0.370131 ] [ 1.2077366 -0.958847 -1.3671257 ] [ 1.5393094 -1.0353743 0.8724501 ] [ 0.6648378 1.4494415 0.6267129 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.237697721263368e-09 -1.08038390459707e-09 3.81468159699769e-10 ] [ -1.228742735982895e-09 1.953217203423508e-09 -5.930152348333248e-10 ] [ 1.935007344604482e-09 -1.536242246324218e-09 -2.190376834234835e-09 ] [ 2.466245532857676e-09 -1.658852497237166e-09 1.397819153034622e-09 ] [ 1.065187579784106e-09 2.322261284517283e-09 1.004104756333768e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.3290154 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.494673036896316e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0409292 2.4962766 3.2746686 ] [ 2.6759372 4.3437148 1.7863722 ] [ 4.7684608 2.9581227 1.2875348 ] [ 4.4298831 2.0855904 3.6690099 ] [ 4.7177727 4.6021905 3.3067354 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0409292e-10 2.4962766e-10 3.2746686e-10 ] [ 2.6759372e-10 4.3437148e-10 1.7863722e-10 ] [ 4.7684608e-10 2.9581227e-10 1.2875348e-10 ] [ 4.4298831e-10 2.0855904e-10 3.6690099e-10 ] [ 4.7177727e-10 4.6021905e-10 3.3067354e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.57e-05 2.07e-05 -4.65e-05 ] [ -1.42e-05 -7.7e-06 4.97e-05 ] [ 5.3e-06 1.7e-06 2.85e-05 ] [ 2.84e-05 1.4e-05 1.01e-05 ] [ -3.9e-06 -2.86e-05 -4.18e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.515417294656e-14 3.316505605055999e-14 -7.45012128672e-14 ] [ -2.275090801536e-14 -1.233675998016e-14 7.962817805376001e-14 ] [ 8.491536090240001e-15 2.72370025536e-15 4.56620336928e-14 ] [ 4.550181603071999e-14 2.24304726912e-14 1.618198387008e-14 ] [ -6.24848882112e-15 -4.582225135488e-14 -6.697098274944e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.977047 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.758716806882278e-18 } }