{ "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" [ [ 1.232696 1.429874 2.018017 ] [ 2.664166 0.3933008 4.008788 ] [ 2.480457 2.487888 4.841749 ] [ 1.659099 3.474448 2.765735 ] [ 4.127261 1.03872 2.31822 ] [ 4.538799 1.714568 4.545045 ] [ 3.952007 3.51716 3.378238 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.232696e-10 1.429874e-10 2.018017e-10 ] [ 2.664166e-10 3.933008e-11 4.008788e-10 ] [ 2.480457e-10 2.487888e-10 4.841749e-10 ] [ 1.659099e-10 3.474448e-10 2.765735e-10 ] [ 4.127261e-10 1.03872e-10 2.31822e-10 ] [ 4.538799e-10 1.714568e-10 4.545045e-10 ] [ 3.952007e-10 3.51716e-10 3.378238e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0930371 -2.2423291 -0.9450037 ] [ -6.293223 -7.5802939 -0.405363 ] [ -8.8883637 3.2631687 9.0925212 ] [ -2.5371004 2.6542432 -1.4523167 ] [ 2.1032262 -2.4638974 -7.5099637 ] [ 11.2190387 -2.1376521 6.1119375 ] [ 4.3033852 8.5067606 -4.8918116 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.490618664870317e-10 -3.592607260159506e-09 -1.514062834709497e-09 ] [ -1.008285476008084e-08 -1.214496966537285e-08 -6.494631215373504e-10 ] [ -1.424072851730738e-08 5.228172600866329e-09 1.456782489076836e-08 ] [ -4.064882945502328e-09 4.252566400957378e-09 -2.326867862737407e-09 ] [ 3.369739845894025e-09 -3.947598810329906e-09 -1.203228826319667e-08 ] [ 1.797488151299043e-08 -3.424896218024024e-09 9.7924033702908e-09 ] [ 6.894783157736732e-09 1.362933295206258e-08 -7.83754617887824e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.516026 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.524635438012494e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8926516 1.189037 2.0567515 ] [ 1.4637578 0.1747138 4.1851167 ] [ 2.3682514 2.1386197 5.2184091 ] [ 1.8410401 3.3667413 3.1696578 ] [ 4.2864036 1.3079963 2.0569078 ] [ 4.6549499 2.0438231 4.5069039 ] [ 4.1474305 3.8350276 2.6820452 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8926516e-10 1.189037e-10 2.0567515e-10 ] [ 1.4637578e-10 1.747138e-11 4.1851167e-10 ] [ 2.3682514e-10 2.1386197e-10 5.218409099999999e-10 ] [ 1.8410401e-10 3.3667413e-10 3.1696578e-10 ] [ 4.2864036e-10 1.3079963e-10 2.0569078e-10 ] [ 4.6549499e-10 2.0438231e-10 4.506903900000001e-10 ] [ 4.1474305e-10 3.8350276e-10 2.6820452e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.8e-05 -1.56e-05 -1.52e-05 ] [ -9.4e-06 1.38e-05 -1.71e-05 ] [ 2.95e-05 3.7e-06 1.16e-05 ] [ -3.5e-06 -2.83e-05 7.5e-06 ] [ -3.1e-06 -5.3e-06 -1.9e-06 ] [ -1.52e-05 2.57e-05 4.5e-06 ] [ 1.98e-05 5.9e-06 1.06e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.88391791744e-14 -2.499395528448e-14 -2.435308463616e-14 ] [ -1.506046023552e-14 2.211003736704e-14 -2.739722021568e-14 ] [ 4.72642103136e-14 5.928053496960001e-15 1.858524880128e-14 ] [ -5.6076181728e-15 -4.534159836864e-14 1.2016324656e-14 ] [ -4.96674752448e-15 -8.491536090240001e-15 -3.04413557952e-15 ] [ -2.435308463616e-14 4.117593915456e-14 7.2097947936e-15 ] [ 3.172309709184e-14 9.45284206272e-15 1.698307218048e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.875973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.864046601465204e-18 } }