{ "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" [ [ 0.2973138 0.0992835 1.535424 ] [ 0.4571454 2.256303 0.112609 ] [ 1.021874 2.429871 2.604005 ] [ 1.808416 0.4621254 0.960442 ] [ 2.7331 1.011411 2.670813 ] [ 2.623171 2.959224 2.230467 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.973138000000001e-11 9.92835e-12 1.535424e-10 ] [ 4.571454e-11 2.256303e-10 1.12609e-11 ] [ 1.021874e-10 2.429871e-10 2.604005e-10 ] [ 1.808416e-10 4.621254e-11 9.60442e-11 ] [ 2.7331e-10 1.011411e-10 2.670813e-10 ] [ 2.623171e-10 2.959224e-10 2.230467e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0803672 -0.0078248 0.7866382 ] [ 0.3377607 -0.209264 1.1650374 ] [ -3.9696194 0.3938866 -0.0635762 ] [ 1.149137 -0.739303 -3.4688696 ] [ 2.4787043 -2.9747871 2.7735397 ] [ 2.0843847 3.5372923 -1.1927696 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.333115690519158e-09 -1.253671162243584e-11 1.260333333068195e-09 ] [ 5.411522969650426e-10 -3.352778883750912e-10 1.866595684637618e-09 ] [ -6.360031396154123e-09 6.310759017664013e-10 -1.01860301279305e-10 ] [ 1.84112043549625e-09 -1.184493982287303e-09 -5.557741773723848e-09 ] [ 3.971322079336429e-09 -4.766134343477431e-09 4.443700464200646e-09 ] [ 3.339552435093222e-09 5.66736702399586e-09 -1.911027567120968e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.25708 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.124018363607527e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5515876 0.2118243 2.4593692 ] [ 1.2675901 2.5753605 0.2347644 ] [ 0.0872646 2.479366 2.299347 ] [ 1.7319371 0.3078241 0.3947953 ] [ 2.8834766 0.6881505 2.4427661 ] [ 2.4191642 2.9556926 2.2827181 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.515876e-11 2.118243e-11 2.4593692e-10 ] [ 1.2675901e-10 2.5753605e-10 2.347644e-11 ] [ 8.72646e-12 2.479366e-10 2.299347e-10 ] [ 1.7319371e-10 3.078241e-11 3.947953e-11 ] [ 2.8834766e-10 6.881505e-11 2.4427661e-10 ] [ 2.4191642e-10 2.9556926e-10 2.2827181e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.11e-05 1.96e-05 1.12e-05 ] [ 2.56e-05 -3.26e-05 -6.2e-06 ] [ 4.6e-06 -2.24e-05 2.3e-06 ] [ -3.2e-05 3e-07 -4.01e-05 ] [ 3.78e-05 4.15e-05 4e-07 ] [ -4.9e-06 -6.4e-06 3.24e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.982769290688e-14 3.140266176767999e-14 1.794437815296e-14 ] [ 4.101572149248001e-14 -5.223095783807999e-14 -9.93349504896e-15 ] [ 7.370012455680001e-15 -3.588875630592e-14 3.68500622784e-15 ] [ -5.12696518656e-14 4.8065298624e-16 -6.424728249408e-14 ] [ 6.056227626623999e-14 6.64903297632e-14 6.408706483200001e-16 ] [ -7.850665441919999e-15 -1.025393037312e-14 5.191052251392001e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.930693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.033031374014222e-18 } }