{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.5679801 0.7633564 0.9423091 ] [ 0.2455229 2.923672 2.888178 ] [ 2.982858 0.4812947 0.275924 ] [ 2.014612 0.8507009 1.879414 ] [ 2.889268 2.773535 0.4342581 ] [ 2.382569 2.78537 2.868502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.679801e-11 7.633564000000001e-11 9.423091e-11 ] [ 2.455229e-11 2.923672e-10 2.888178e-10 ] [ 2.982858e-10 4.812947e-11 2.75924e-11 ] [ 2.014612e-10 8.507009e-11 1.879414e-10 ] [ 2.889268e-10 2.773535e-10 4.342581e-11 ] [ 2.382569e-10 2.78537e-10 2.868502e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.190766 0.0357292 -2.1639014 ] [ -0.345479 -1.3979089 -0.3368835 ] [ 10.3813049 -4.5847098 -7.8847748 ] [ -1.0143903 -3.2768458 11.9829843 ] [ 2.4366486 6.4384218 -3.8393928 ] [ 1.7326818 2.7853135 2.2419682 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.113393689564353e-08 5.724448891988736e-11 -3.466952232796389e-09 ] [ -5.535183767773632e-10 -2.239696957588245e-09 -5.397468676332769e-10 ] [ 1.663268400417648e-08 -7.345514854712643e-09 -1.2632801844833e-08 ] [ -1.625232423026298e-09 -5.250085730726672e-09 1.919885729287345e-08 ] [ 3.903941420025051e-09 1.031548888280905e-08 -6.15138538222785e-09 ] [ 2.776062271245662e-09 4.46256417129862e-09 3.592029034617059e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.064036 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.612436319008955e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.3209326 0.6472294 1.5775013 ] [ 0.054933 2.7283128 2.5337504 ] [ 3.2235078 0.6729488 -0.1441327 ] [ 2.0159321 0.692949 1.8796175 ] [ 3.7182977 2.7549193 0.754264 ] [ 2.391072 3.0815697 2.6875847 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.209326e-11 6.472294e-11 1.5775013e-10 ] [ 5.4933e-12 2.7283128e-10 2.5337504e-10 ] [ 3.2235078e-10 6.729488000000001e-11 -1.441327e-11 ] [ 2.0159321e-10 6.929490000000001e-11 1.8796175e-10 ] [ 3.7182977e-10 2.7549193e-10 7.542640000000001e-11 ] [ 2.391072e-10 3.0815697e-10 2.6875847e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0001015 3.37e-05 1.93e-05 ] [ 9.96e-05 -0.0001015 -3.6e-06 ] [ -8.3e-06 -3.52e-05 -7.09e-05 ] [ -9.3e-05 0.0001461 -2e-07 ] [ -2.42e-05 -7.05e-05 9.07e-05 ] [ -7.55e-05 2.74e-05 -3.52e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.626209270112e-13 5.399335212096e-14 3.092200878144e-14 ] [ 1.5957679143168e-13 -1.626209270112e-13 -5.76783583488e-15 ] [ -1.329806595264e-14 -5.639661705216e-14 -1.1359432241472e-13 ] [ -1.490024257344e-13 2.3407800429888e-13 -3.2043532416e-16 ] [ -3.877267422336e-14 -1.129534517664e-13 1.4531741950656e-13 ] [ -1.209643348704e-13 4.389963940992e-14 -5.639661705216e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.681644 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.99312932549086e-18 } }