{ "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" [ [ -0.1147649 -2.3656591 0.0371124 ] [ -4.0085633 -4.9771502 -1.019617 ] [ -6.3390558 3.1839775 4.7791214 ] [ -1.2592839 2.2826504 -0.1995129 ] [ 1.6513751 0.1806415 -3.6481108 ] [ 7.8601947 -3.1979548 4.3385034 ] [ 2.2100982 4.8934948 -4.2874965 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.838736396684499e-10 -3.790203702802769e-09 5.946061962177791e-11 ] [ -6.422426402256897e-09 -7.974273688650043e-09 -1.633606519570234e-09 ] [ -1.015628700070664e-08 5.101294311653232e-09 7.656996575044966e-09 ] [ -2.017595223529845e-09 3.657209104339769e-09 -3.196549039280083e-10 ] [ 2.645794577391262e-09 2.894195880462432e-10 -5.844917833847984e-09 ] [ 1.259342018327607e-08 -5.123688414935141e-09 6.95104871674131e-09 ] [ 3.540967665712163e-09 7.840242962566372e-09 -6.869326654061827e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.841741 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.057473720056882e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.870954 1.340546 2.2226061 ] [ 2.5847753 0.4104082 3.6161061 ] [ 2.3506209 2.6394159 5.0063134 ] [ 1.4860058 3.5594626 2.8044354 ] [ 4.6760327 1.097782 2.3102998 ] [ 4.6899847 1.5642141 4.8520763 ] [ 3.9961116 3.44413 3.063955 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.709540000000001e-11 1.340546e-10 2.2226061e-10 ] [ 2.5847753e-10 4.104082e-11 3.6161061e-10 ] [ 2.3506209e-10 2.6394159e-10 5.0063134e-10 ] [ 1.4860058e-10 3.5594626e-10 2.8044354e-10 ] [ 4.6760327e-10 1.097782e-10 2.3102998e-10 ] [ 4.6899847e-10 1.5642141e-10 4.8520763e-10 ] [ 3.9961116e-10 3.44413e-10 3.063955e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.9e-06 -1.89e-05 -1.4e-06 ] [ -6.15e-05 -3.44e-05 -4.61e-05 ] [ -5.1e-06 2.82e-05 -3.09e-05 ] [ 1.74e-05 2.1e-05 3.08e-05 ] [ 2.9e-06 2.4e-05 2.29e-05 ] [ 8.49e-05 -1.01e-05 5.71e-05 ] [ -4.26e-05 -9.8e-06 -3.24e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.24848882112e-15 -3.028113813312e-14 -2.24304726912e-15 ] [ -9.853386217920001e-14 -5.511487575552001e-14 -7.386034221888001e-14 ] [ -8.17110076608e-15 4.518138070656001e-14 -4.950725758272e-14 ] [ 2.787787320192e-14 3.36457090368e-14 4.934703992064001e-14 ] [ 4.646312200320001e-15 3.84522388992e-14 3.668984461632e-14 ] [ 1.3602479510592e-13 -1.618198387008e-14 9.148428504768e-14 ] [ -6.825272404608e-14 -1.570133088384e-14 -5.191052251392001e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.785012 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.689255380624745e-18 } }