{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.1688 2.788884 1.320769 ] [ 2.532136 2.630615 3.81334 ] [ 3.448306 1.022917 2.319133 ] [ 4.871015 2.854538 3.444822 ] [ 3.148673 5.011898 0.914954 ] [ 4.462028 3.106005 1.382629 ] [ 3.536809 5.003724 3.350012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1688e-10 2.788884e-10 1.320769e-10 ] [ 2.532136e-10 2.630615e-10 3.813340000000001e-10 ] [ 3.448306e-10 1.022917e-10 2.319133e-10 ] [ 4.871015e-10 2.854538e-10 3.444822e-10 ] [ 3.148673e-10 5.011898e-10 9.149540000000001e-11 ] [ 4.462028e-10 3.106005e-10 1.382629e-10 ] [ 3.536809e-10 5.003724e-10 3.350012e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2921587 0.2330525 -0.3124811 ] [ -0.9943011 0.9640311 0.5957956 ] [ -0.0604976 -1.6949016 -0.0510252 ] [ 1.4271592 0.3958044 3.8302657 ] [ -0.2761638 0.2520317 1.4796504 ] [ 2.7429808 0.1182121 -5.0854507 ] [ -0.5470188 -0.2682301 -0.4567547 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.672443080303321e-09 3.73391266918992e-10 -5.006499128618669e-10 ] [ -1.593045976455723e-09 1.544548090144107e-09 9.545697810955085e-10 ] [ -9.692784033451007e-11 -2.715531718076513e-09 -8.175138251164417e-11 ] [ 2.286561104399631e-09 6.341485560897715e-10 6.136762155992147e-09 ] [ -4.424631838712871e-10 4.037992974404794e-10 2.370661277837368e-09 ] [ 4.394739709063282e-09 1.893966629156717e-10 -8.147790217770995e-09 ] [ -8.764207324980712e-10 -4.297519952148461e-10 -7.318017017805179e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.798629 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.172090050769288e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.61498 2.8834764 1.3540921 ] [ 2.0293082 2.7981619 3.7142408 ] [ 3.4808357 1.4570832 2.2718774 ] [ 5.3610303 3.26128 3.3859976 ] [ 3.249873 4.5151467 1.1699463 ] [ 4.9499009 2.9120628 1.1161241 ] [ 3.4818389 4.59137 3.5333807 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.61498e-10 2.8834764e-10 1.3540921e-10 ] [ 2.0293082e-10 2.7981619e-10 3.7142408e-10 ] [ 3.4808357e-10 1.4570832e-10 2.2718774e-10 ] [ 5.361030300000001e-10 3.26128e-10 3.3859976e-10 ] [ 3.249873e-10 4.5151467e-10 1.1699463e-10 ] [ 4.949900900000001e-10 2.9120628e-10 1.1161241e-10 ] [ 3.4818389e-10 4.591370000000001e-10 3.5333807e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.01e-05 1.1e-06 -1.67e-05 ] [ 9.1e-06 -2.4e-05 -3.1e-06 ] [ -3.45e-05 3.28e-05 1.74e-05 ] [ 3.22e-05 -8.5e-06 -9.4e-06 ] [ 1e-07 -1.64e-05 7.2e-06 ] [ -5.74e-05 1.51e-05 2.15e-05 ] [ -9.6e-06 -2e-07 -1.69e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.629081491008e-14 1.76239428288e-15 -2.675634956736e-14 ] [ 1.457980724928e-14 -3.84522388992e-14 -4.96674752448e-15 ] [ -5.52750934176e-14 5.255139316223999e-14 2.787787320192e-14 ] [ 5.159008718975999e-14 -1.36185012768e-14 -1.506046023552e-14 ] [ 1.6021766208e-16 -2.627569658112e-14 1.153567166976e-14 ] [ -9.196493803392e-14 2.419286697408e-14 3.44467973472e-14 ] [ -1.538089555968e-14 -3.2043532416e-16 -2.707678489152e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.30335 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.573390593551968e-18 } }