{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.173039 -3.0279481 0.3012243 ] [ -6.5704297 -2.1424316 2.8517317 ] [ -0.3957316 0.5080629 -2.0683925 ] [ -0.3610947 3.304265 0.9807501 ] [ 8.3840359 -1.1033933 -1.9017113 ] [ -0.0078453 1.9479272 -0.5108666 ] [ 0.1241043 0.513518 0.3472643 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.879415676570726e-09 -4.851307694784695e-09 4.826145350530061e-10 ] [ -1.052698894067963e-08 -3.432553849463234e-09 4.568977896177098e-09 ] [ -6.340319228554344e-10 8.140065069822785e-10 -3.313930133440845e-09 ] [ -5.785374910012397e-10 5.294016175544009e-09 1.571334894013163e-09 ] [ 1.343270641759716e-08 -1.767830963372152e-09 -3.046877409473764e-09 ] [ -1.25695563467202e-11 3.120923444573044e-09 -8.184985296110242e-10 ] [ 1.988370096389262e-10 8.22746540738412e-10 5.563787472823661e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -13.984328 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.240536356379195e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7808529 1.6851392 2.0069353 ] [ 1.6962941 2.2506893 4.2261996 ] [ 2.558927 3.9137473 1.0194587 ] [ 2.2987655 5.0414727 3.0792152 ] [ 4.9829621 2.5032919 2.7880357 ] [ 5.0846929 4.1943626 0.9113109 ] [ 3.8064584 3.7961101 4.4435455 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7808529e-10 1.6851392e-10 2.0069353e-10 ] [ 1.6962941e-10 2.2506893e-10 4.2261996e-10 ] [ 2.558927e-10 3.9137473e-10 1.0194587e-10 ] [ 2.2987655e-10 5.0414727e-10 3.0792152e-10 ] [ 4.9829621e-10 2.5032919e-10 2.7880357e-10 ] [ 5.0846929e-10 4.1943626e-10 9.113109000000001e-11 ] [ 3.8064584e-10 3.7961101e-10 4.4435455e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.54e-05 -1.83e-05 8e-06 ] [ 7.1e-06 -3.2e-06 -1.86e-05 ] [ -1.39e-05 1.38e-05 2.7e-06 ] [ 1.69e-05 6.9e-06 -7.1e-06 ] [ -1.69e-05 1.11e-05 -6.3e-06 ] [ -1.04e-05 -1.35e-05 1.51e-05 ] [ 1.8e-06 3.1e-06 6.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.46735201636e-14 -2.93198324022e-14 1.2817413072e-14 ] [ 1.13754541014e-14 -5.1269652288e-15 -2.98004853924e-14 ] [ -2.22702552126e-14 2.21100375492e-14 4.3258769118e-15 ] [ 2.70767851146e-14 1.10550187746e-14 -1.13754541014e-14 ] [ -2.70767851146e-14 1.77841606374e-14 -1.00937127942e-14 ] [ -1.66626369936e-14 -2.162938455899999e-14 2.41928671734e-14 ] [ 2.8839179412e-15 4.9667475654e-15 1.00937127942e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.891963 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.026826168899254e-18 } }