{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.7382803 -18.6870868 12.7541688 ] [ 73.41224 8.0696032 94.966367 ] [ -66.9064469 -79.5074724 51.7306269 ] [ -55.3528243 103.5295108 -136.4249154 ] [ 5.1115151 -27.4764407 -64.1965956 ] [ 60.8308143 -60.8735386 54.1097875 ] [ -10.3570179 74.9454244 -12.9394392 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.079591525000251e-08 -2.994001382848983e-08 2.043443123745182e-08 ] [ 1.176193755776001e-07 1.292892969269163e-08 1.521528942232687e-07 ] [ -1.071959458871417e-07 -1.273850145076799e-07 8.288160168135184e-08 ] [ -8.86850017193674e-08 1.658725631332106e-07 -2.185768117493067e-07 ] [ 8.189550057558173e-09 -4.40221112750266e-08 -1.028542854526672e-07 ] [ 9.746170929865305e-08 -9.753016117381707e-08 8.669343720320527e-08 ] [ -1.659377207729975e-08 1.200758077988935e-07 -2.073126714330365e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 49.215208 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.885145629504987e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9398841 1.3617528 2.1262166 ] [ 1.2384069 1.2633289 4.8639768 ] [ 2.3628409 3.7088506 5.6779164 ] [ 0.828653 3.7662907 3.0398914 ] [ 4.4054275 2.4402758 2.1494803 ] [ 4.9238643 2.8388619 4.9005693 ] [ 3.3921563 4.8740163 3.0872701 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9398841e-10 1.3617528e-10 2.1262166e-10 ] [ 1.2384069e-10 1.2633289e-10 4.8639768e-10 ] [ 2.3628409e-10 3.7088506e-10 5.6779164e-10 ] [ 8.28653e-11 3.7662907e-10 3.0398914e-10 ] [ 4.4054275e-10 2.4402758e-10 2.1494803e-10 ] [ 4.9238643e-10 2.8388619e-10 4.9005693e-10 ] [ 3.3921563e-10 4.8740163e-10 3.0872701e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.83e-05 1.9e-06 1.14e-05 ] [ 1.21e-05 1.5e-05 -1.89e-05 ] [ -1.3e-05 5e-06 -4.12e-05 ] [ 2.35e-05 -2.9e-05 5.41e-05 ] [ 6.28e-05 -4e-07 4.98e-05 ] [ -3.2e-05 -2.72e-05 -4.68e-05 ] [ -1.51e-05 3.48e-05 -8.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.13633650822e-14 3.0441356046e-15 1.82648136276e-14 ] [ 1.93863372714e-14 2.403264951e-14 -3.02811383826e-14 ] [ -2.082829624199999e-14 8.010883169999999e-15 -6.600967732079998e-14 ] [ 3.765115089899999e-14 -4.6463122386e-14 8.66777558994e-14 ] [ 1.006166926152e-13 -6.408706536e-16 7.978839637319999e-14 ] [ -5.126965228799999e-14 -4.35792044448e-14 -7.498186647119999e-14 ] [ -2.41928671734e-14 5.575574686319999e-14 -1.3618501389e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.040917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.050691230733338e-18 } }