{ "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" [ [ 0.0221122 0.00357 0.1110342 ] [ 0.2725629 2.182164 0.260904 ] [ 0.3472204 2.881652 2.59775 ] [ 1.734388 0.2655593 2.566686 ] [ 2.338795 2.363947 0.0295877 ] [ 1.600298 1.908592 1.497057 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.21122e-12 3.57e-13 1.110342e-11 ] [ 2.725629e-11 2.182164e-10 2.60904e-11 ] [ 3.472204e-11 2.881652e-10 2.59775e-10 ] [ 1.734388e-10 2.655593e-11 2.566686e-10 ] [ 2.338795e-10 2.363947e-10 2.95877e-12 ] [ 1.600298e-10 1.908592e-10 1.497057e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2357714 -2.3923836 -0.0969119 ] [ -25.7526267 4.9884593 -13.0817306 ] [ -9.2749318 7.1384848 10.3667259 ] [ 1.1578717 -10.3503012 7.790921 ] [ 23.1553878 7.1804787 -23.0456826 ] [ 10.4785276 -6.5647379 18.0666783 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.777474249332851e-10 -3.833021071905339e-09 -1.552699804573075e-10 ] [ -4.126025642292986e-08 7.992392864272333e-09 -2.095924292692396e-08 ] [ -1.486007888947446e-08 1.143711345449616e-08 1.660932587122184e-08 ] [ 1.855114967625951e-09 -1.658301060087818e-08 1.248243148069976e-08 ] [ 3.709902097871755e-08 1.150439509929238e-08 -3.692325387209736e-08 ] [ 1.678845194112753e-08 -1.051786958505969e-08 2.894600958777469e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 8.405611720918062 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.346727458277737e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2168344 0.1167614 0.7931787 ] [ 0.0965757 2.4059289 0.1142548 ] [ 0.047902 3.2384394 2.281745 ] [ 1.7685485 -0.5274706 2.3582444 ] [ 2.3743372 2.5896962 -0.3002855 ] [ 1.8111786 1.782129 1.8158816 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.168344e-11 1.167614e-11 7.931787e-11 ] [ 9.65757e-12 2.4059289e-10 1.142548e-11 ] [ 4.7902e-12 3.2384394e-10 2.281745e-10 ] [ 1.7685485e-10 -5.274706e-11 2.3582444e-10 ] [ 2.3743372e-10 2.5896962e-10 -3.002855e-11 ] [ 1.8111786e-10 1.782129e-10 1.8158816e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.7e-05 7.66e-05 4.1e-06 ] [ 4.53e-05 -4.87e-05 4.1e-06 ] [ -5.71e-05 7e-07 -1.57e-05 ] [ 6.5e-05 -2.59e-05 -5.4e-06 ] [ 3.6e-06 -3.3e-06 1.55e-05 ] [ 4.02e-05 7e-07 -2.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.554111322176e-13 1.2272672915328e-13 6.568924145279999e-15 ] [ 7.257860092224001e-14 -7.802600143296e-14 6.568924145279999e-15 ] [ -9.148428504768e-14 1.12152363456e-15 -2.515417294656e-14 ] [ 1.04141480352e-13 -4.149637447872e-14 -8.65175375232e-15 ] [ 5.76783583488e-15 -5.28718284864e-15 2.48337376224e-14 ] [ 6.440750015616e-14 1.12152363456e-15 -4.16565921408e-15 ] ] } "relaxed-potential-energy" { "source-value" -5.954369279081938 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.539951250554831e-19 } }