{ "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" [ [ 2.611679 2.016684 2.717461 ] [ 4.323341 0.727724 2.330974 ] [ 4.46399 3.048062 1.959515 ] [ 3.51112 1.5374 4.631239 ] [ 3.533059 3.74018 3.907793 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.611679e-10 2.016684e-10 2.717461e-10 ] [ 4.323341e-10 7.27724e-11 2.330974e-10 ] [ 4.46399e-10 3.048062e-10 1.959515e-10 ] [ 3.51112e-10 1.5374e-10 4.631239e-10 ] [ 3.533059e-10 3.74018e-10 3.907793e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.5962358 0.2409588 -1.8819416 ] [ 1.5009418 -1.0788939 0.3786123 ] [ 1.6651554 0.5694839 -1.3202373 ] [ 1.2564858 -1.1086099 1.5951928 ] [ 0.1736528 1.3770612 1.2283738 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.363981542443984e-09 3.860585559360231e-10 -3.015202833230945e-09 ] [ 2.40477386114147e-09 -1.728578582903733e-09 6.066037754073158e-10 ] [ 2.667873051878872e-09 9.124137905020052e-10 -2.115253335968116e-09 ] [ 2.013112173127185e-09 -1.776188863367426e-09 2.55578060982849e-09 ] [ 2.782224562964582e-10 2.206295260050793e-09 1.968071783963255e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.9884107754089015 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.992315119306942e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.3975929 2.0925095 2.6150473 ] [ 4.4204102 0.7967913 2.5205213 ] [ 4.4646912 3.0528633 1.8505296 ] [ 3.5581503 1.4359115 4.6154556 ] [ 3.6023444 3.6919744 3.9454282 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3975929e-10 2.0925095e-10 2.6150473e-10 ] [ 4.4204102e-10 7.967913e-11 2.5205213e-10 ] [ 4.4646912e-10 3.0528633e-10 1.8505296e-10 ] [ 3.5581503e-10 1.4359115e-10 4.6154556e-10 ] [ 3.6023444e-10 3.6919744e-10 3.9454282e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.1e-06 1.41e-05 -1e-07 ] [ 6.8e-06 5.3e-06 1.14e-05 ] [ -5.9e-06 5e-06 -2.49e-05 ] [ -8.6e-06 -1.59e-05 1.35e-05 ] [ 7e-07 -8.5e-06 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.137545400768e-14 2.259069035328e-14 -1.6021766208e-16 ] [ 1.089480102144e-14 8.491536090240001e-15 1.826481347712e-14 ] [ -9.45284206272e-15 8.010883104e-15 -3.989419785791999e-14 ] [ -1.377871893888e-14 -2.547460827072e-14 2.16293843808e-14 ] [ 1.12152363456e-15 -1.36185012768e-14 0.0 ] ] } "relaxed-potential-energy" { "source-value" -5.786807775408899 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.271488126823796e-19 } }