{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.382185 0.3943114 1.075216 ] [ 0.9807846 1.486461 2.753824 ] [ 0.491957 1.894504 0.6685531 ] [ 1.794418 2.681383 2.23804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.382185e-10 3.943114e-11 1.075216e-10 ] [ 9.807846e-11 1.486461e-10 2.753824e-10 ] [ 4.91957e-11 1.894504e-10 6.685531000000001e-11 ] [ 1.794418e-10 2.681383e-10 2.23804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 13.4343626 -25.9635116 -3.47371 ] [ -28.6171878 -36.7399839 31.5915944 ] [ -16.7481595 18.386087 -15.4906201 ] [ 31.9309847 44.3174085 -12.6272643 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.152422167306991e-08 -4.159813127938961e-08 -5.565496949439168e-09 ] [ -4.584978924620299e-08 -5.88639432531484e-08 5.061531396147621e-08 ] [ -2.683350959232942e-08 2.945775873939481e-08 -2.481870936591456e-08 ] [ 5.11590771654625e-08 7.10043157931432e-08 -2.023110764612248e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 17.664702 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.8301972557799e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9134843 0.0488766 1.117817 ] [ 1.3948148 1.014702 3.2392871 ] [ 0.9298207 2.2136301 0.1285357 ] [ 1.4112248 3.1794507 2.2499933 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.134843000000001e-11 4.88766e-12 1.117817e-10 ] [ 1.3948148e-10 1.014702e-10 3.2392871e-10 ] [ 9.298207e-11 2.2136301e-10 1.285357e-11 ] [ 1.4112248e-10 3.1794507e-10 2.2499933e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.56e-05 -2.59e-05 4.03e-05 ] [ 2.19e-05 -3.08e-05 -3.21e-05 ] [ 3.98e-05 3.96e-05 2.97e-05 ] [ -3.61e-05 1.71e-05 -3.79e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.101572149248001e-14 -4.149637447872e-14 6.456771781824e-14 ] [ 3.508766799552e-14 -4.934703992064001e-14 -5.142986952768e-14 ] [ 6.376662950784e-14 6.344619418368e-14 4.758464563776e-14 ] [ -5.783857601088001e-14 2.739722021568e-14 -6.072249392832e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.6375609 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.383889813471621e-18 } }