{ "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" [ [ -0.6496475 -2.9113379 -1.6296981 ] [ -0.6318611 0.527479 1.4324691 ] [ 1.5633682 1.2020063 -1.6126612 ] [ -0.3305341 0.9592493 1.3333465 ] [ 1.3564217 -0.5640464 2.2793318 ] [ -1.3823768 1.4459605 -0.9895287 ] [ 0.0746295 -0.6593108 -0.8132594 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.040850044836515e-09 -4.664477557058628e-09 -2.611064216294195e-09 ] [ -1.012353090353537e-09 8.45114528725686e-10 2.295068520947009e-09 ] [ 2.504792000378638e-09 1.925826407780794e-09 -2.583768093198401e-09 ] [ -5.295740117602193e-10 1.536886814640856e-09 2.136256607325681e-09 ] [ 2.173227153590558e-09 -9.037019625718175e-10 3.651892151093161e-09 ] [ -2.214811808343691e-09 2.316684126786957e-09 -1.585399761812396e-09 ] [ 1.19569641107103e-10 -1.056332358303847e-09 -1.302985208060859e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.222701005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.919598575980585e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8699721 1.8572933 2.0406306 ] [ 1.8409631 2.5595689 3.9616804 ] [ 2.6376359 3.9188211 1.0562535 ] [ 2.1066955 4.8028608 3.1452119 ] [ 4.932553 2.5280653 2.7946327 ] [ 4.9505439 3.9838288 0.9952313 ] [ 3.8705896 3.7343748 4.4810606 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8699721e-10 1.8572933e-10 2.0406306e-10 ] [ 1.8409631e-10 2.5595689e-10 3.9616804e-10 ] [ 2.6376359e-10 3.9188211e-10 1.0562535e-10 ] [ 2.1066955e-10 4.8028608e-10 3.1452119e-10 ] [ 4.932553000000001e-10 2.5280653e-10 2.7946327e-10 ] [ 4.950543900000001e-10 3.9838288e-10 9.952313e-11 ] [ 3.8705896e-10 3.7343748e-10 4.4810606e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.6e-06 -3.87e-05 2.72e-05 ] [ 6.8e-06 4.21e-05 -5.12e-05 ] [ -2.11e-05 1.38e-05 1.14e-05 ] [ 4.01e-05 -1.61e-05 2.05e-05 ] [ 4.09e-05 2.78e-05 1.7e-05 ] [ -1.91e-05 -2.7e-06 -1.24e-05 ] [ -4e-05 -2.61e-05 -1.24e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.21765424184e-14 -6.200423573579999e-14 4.35792044448e-14 ] [ 1.08948011112e-14 6.745163629139998e-14 -8.20314436608e-14 ] [ -3.38059269774e-14 2.21100375492e-14 1.82648136276e-14 ] [ 6.42472830234e-14 -2.579504380739999e-14 3.2844620997e-14 ] [ 6.552902433059999e-14 4.454051042519999e-14 2.723700277799999e-14 ] [ -3.06015737094e-14 -4.3258769118e-15 -1.98669902616e-14 ] [ -6.408706535999999e-14 -4.18168101474e-14 -1.98669902616e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.329594005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.257160049474401e-18 } }