{ "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" [ [ 0.2519361 0.630526 0.2961672 ] [ 1.040527 1.338339 0.9480581 ] [ 1.471162 2.964903 0.310665 ] [ 0.0960364 2.590998 1.829013 ] [ 2.039261 0.0625187 0.2196196 ] [ 2.19391 1.549757 2.906446 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.519361e-11 6.30526e-11 2.961672e-11 ] [ 1.040527e-10 1.338339e-10 9.480581e-11 ] [ 1.471162e-10 2.964903e-10 3.10665e-11 ] [ 9.60364e-12 2.590998e-10 1.829013e-10 ] [ 2.039261e-10 6.25187e-12 2.196196e-11 ] [ 2.19391e-10 1.549757e-10 2.906446e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -66.9065834 -55.5850499 -47.1436095 ] [ 46.9903798 31.7509762 43.1130233 ] [ 10.0223739 31.2709299 -16.0080197 ] [ -17.5145407 16.7313751 16.4329513 ] [ 20.5120692 -21.8918571 -9.3152333 ] [ 6.8963013 -2.2763742 12.9208879 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.071961637010854e-07 -8.905706741578139e-08 -7.553238896102478e-08 ] [ 7.528688791807257e-08 5.087067175521723e-08 6.907467798326567e-08 ] [ 1.605761314749612e-08 5.010155279645568e-08 -2.564767490864583e-08 ] [ -2.806138763359007e-08 2.680661801905526e-08 2.632849038360496e-08 ] [ 3.286395771647176e-08 -3.507462163151449e-08 -1.492464901055763e-08 ] [ 1.104909271285265e-08 -3.647153523432303e-09 2.070154451335761e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 46.062804 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.380074765729273e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3201956 0.1143527 0.1967786 ] [ 0.9694269 2.0400635 1.4025576 ] [ 2.0251197 3.5664969 -0.060071 ] [ -0.9406217 3.0542296 2.3548967 ] [ 2.2456913 -1.0632712 -0.5028164 ] [ 2.4730207 1.4251703 3.1186234 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.201956e-11 1.143527e-11 1.967786e-11 ] [ 9.694269e-11 2.0400635e-10 1.4025576e-10 ] [ 2.0251197e-10 3.5664969e-10 -6.0071e-12 ] [ -9.406217000000001e-11 3.0542296e-10 2.3548967e-10 ] [ 2.2456913e-10 -1.0632712e-10 -5.028164000000001e-11 ] [ 2.4730207e-10 1.4251703e-10 3.1186234e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.1e-06 -1e-07 2.6e-06 ] [ 2.6e-06 -8e-07 5e-07 ] [ -7.3e-06 4.8e-06 -1.7e-06 ] [ 2.2e-06 6.9e-06 5e-07 ] [ 2.4e-06 -6.4e-06 -3.9e-06 ] [ -5e-06 -4.6e-06 1.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.17110076608e-15 -1.6021766208e-16 4.16565921408e-15 ] [ 4.16565921408e-15 -1.28174129664e-15 8.010883104e-16 ] [ -1.169588933184e-14 7.69044777984e-15 -2.72370025536e-15 ] [ 3.52478856576e-15 1.105501868352e-14 8.010883104e-16 ] [ 3.84522388992e-15 -1.025393037312e-14 -6.24848882112e-15 ] [ -8.010883104e-15 -7.370012455680001e-15 3.04413557952e-15 ] ] } "relaxed-potential-energy" { "source-value" -7.0996 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.137481313703168e-18 } }