{ "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" [ [ 1.232696 1.429874 2.018017 ] [ 2.664166 0.3933008 4.008788 ] [ 2.480457 2.487888 4.841749 ] [ 1.659099 3.474448 2.765735 ] [ 4.127261 1.03872 2.31822 ] [ 4.538799 1.714568 4.545045 ] [ 3.952007 3.51716 3.378238 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.232696e-10 1.429874e-10 2.018017e-10 ] [ 2.664166e-10 3.933008e-11 4.008788e-10 ] [ 2.480457e-10 2.487888e-10 4.841749e-10 ] [ 1.659099e-10 3.474448e-10 2.765735e-10 ] [ 4.127261e-10 1.03872e-10 2.31822e-10 ] [ 4.538799e-10 1.714568e-10 4.545045e-10 ] [ 3.952007e-10 3.51716e-10 3.378238e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5660731 -8.8518762 -2.6869223 ] [ -12.2315453 -14.5811194 -0.5387964 ] [ -19.4844105 6.589152 14.4411257 ] [ -2.9460172 9.1722332 0.1121711 ] [ 4.3141653 -1.0602924 -11.0436149 ] [ 23.8480586 -6.7445653 10.9108533 ] [ 8.0658222 15.4764681 -11.1948164 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.509125707283781e-09 -1.418226909785595e-08 -4.304924090966164e-09 ] [ -1.959709591591613e-08 -2.336152860777332e-08 -8.63246995451205e-10 ] [ -3.121746697317003e-08 1.055698528529756e-08 2.313723397457404e-08 ] [ -4.720039882314678e-09 1.469553759356557e-08 1.797179139494189e-10 ] [ 6.912054781926618e-09 -1.698775694491922e-09 -1.769382160189853e-08 ] [ 3.820880194038839e-08 -1.080598484111894e-08 1.748111407023853e-08 ] [ 1.292287175636962e-08 2.4796035362377e-08 -1.793607311022842e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.289003 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.808697667874106e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5185883 1.2572555 1.8632071 ] [ 2.4173699 0.2660979 4.1024024 ] [ 2.3499045 2.6878358 5.1352883 ] [ 1.4540054 3.5755572 2.8519774 ] [ 4.1155717 1.1707941 2.0921667 ] [ 4.7509393 1.5058826 4.7057044 ] [ 4.0481059 3.5925356 3.1250458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5185883e-10 1.2572555e-10 1.8632071e-10 ] [ 2.4173699e-10 2.660979e-11 4.1024024e-10 ] [ 2.3499045e-10 2.687835800000001e-10 5.1352883e-10 ] [ 1.4540054e-10 3.5755572e-10 2.8519774e-10 ] [ 4.1155717e-10 1.1707941e-10 2.0921667e-10 ] [ 4.7509393e-10 1.5058826e-10 4.705704400000001e-10 ] [ 4.048105900000001e-10 3.5925356e-10 3.1250458e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.07e-05 -6.6e-06 -1.55e-05 ] [ 1.37e-05 8e-07 1.53e-05 ] [ 1.03e-05 1.06e-05 1.4e-06 ] [ -8.6e-06 2.37e-05 -1.27e-05 ] [ -8e-06 6.4e-06 -3e-07 ] [ 1.5e-06 3e-07 -1.57e-05 ] [ -1.97e-05 -3.52e-05 2.75e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.714328984256e-14 -1.057436569728e-14 -2.48337376224e-14 ] [ 2.194981970496e-14 1.28174129664e-15 2.451330229824e-14 ] [ 1.650241919424e-14 1.698307218048e-14 2.24304726912e-15 ] [ -1.377871893888e-14 3.797158591296e-14 -2.034764308416e-14 ] [ -1.28174129664e-14 1.025393037312e-14 -4.8065298624e-16 ] [ 2.4032649312e-15 4.8065298624e-16 -2.515417294656e-14 ] [ -3.156287942976e-14 -5.639661705216e-14 4.4059857072e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.010874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.846966096777458e-18 } }