{ "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" [ [ 0.1515051 0.6129927 0.4125648 ] [ 0.5354239 0.8367141 2.920626 ] [ 0.0380374 2.448484 2.393252 ] [ 2.476891 0.0370714 1.494005 ] [ 2.980221 0.9767319 2.515602 ] [ 2.390623 2.921281 2.114549 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.515051e-11 6.129927e-11 4.125648000000001e-11 ] [ 5.354239e-11 8.367141000000001e-11 2.920626e-10 ] [ 3.80374e-12 2.448484e-10 2.393252e-10 ] [ 2.476891e-10 3.707139999999999e-12 1.494005e-10 ] [ 2.980221e-10 9.767319e-11 2.515602e-10 ] [ 2.390623e-10 2.921281e-10 2.114549e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8453519 -1.0844156 -3.0250281 ] [ -4.9980179 -11.6908605 8.6102388 ] [ -4.4902734 10.9603801 -2.1734904 ] [ -7.0203308 -23.9703045 -23.7105272 ] [ 15.252379 14.9563028 21.6493649 ] [ 2.1015949 10.8288977 -1.3505581 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.35440305052886e-09 -1.737425321550805e-09 -4.846629299083045e-09 ] [ -8.007707429719912e-09 -1.87308233701342e-08 1.379512330486505e-08 ] [ -7.194211062480127e-09 1.756046475130157e-08 -3.48231550441324e-09 ] [ -1.124780987804216e-08 -3.840466146335704e-08 -3.798845234668249e-08 ] [ 2.443700504538088e-08 2.396263867976558e-08 3.468610629794813e-08 ] [ 3.367126215172514e-09 1.73498067239749e-08 -2.163832612852069e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 4.9856601 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.98790805147539e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.3311463 0.8253501 0.2359108 ] [ 0.6487506 0.8199215 3.8028916 ] [ 0.0245055 2.3411421 2.015335 ] [ 2.371107 -0.201001 0.8338176 ] [ 2.8825685 0.9032184 2.8530059 ] [ 2.3146234 3.1446441 2.1096379 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.311463e-11 8.253501e-11 2.359108e-11 ] [ 6.487505999999999e-11 8.199215e-11 3.8028916e-10 ] [ 2.45055e-12 2.3411421e-10 2.015335e-10 ] [ 2.371107e-10 -2.01001e-11 8.338176000000001e-11 ] [ 2.8825685e-10 9.032184000000001e-11 2.8530059e-10 ] [ 2.3146234e-10 3.1446441e-10 2.1096379e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.5e-06 -9.5e-06 -2.2e-06 ] [ -5.8e-06 -1.72e-05 1.08e-05 ] [ -1.19e-05 9.5e-06 -3.1e-06 ] [ 6.6e-06 9.7e-06 5e-06 ] [ 3e-07 -1.94e-05 2.2e-06 ] [ 1.73e-05 2.68e-05 -1.26e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.04141480352e-14 -1.52206778976e-14 -3.52478856576e-15 ] [ -9.292624400640001e-15 -2.755743787776e-14 1.730350750464e-14 ] [ -1.906590178752e-14 1.52206778976e-14 -4.96674752448e-15 ] [ 1.057436569728e-14 1.554111322176e-14 8.010883104e-15 ] [ 4.8065298624e-16 -3.108222644352e-14 3.52478856576e-15 ] [ 2.771765553984e-14 4.293833343744e-14 -2.018742542208e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.5540646 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.53072989357329e-18 } }