{ "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" [ [ 0.8784497 0.4697805 1.02237 ] [ 0.3714623 2.027429 0.7033507 ] [ 0.1687176 1.823848 2.813644 ] [ 2.523837 0.1233038 2.780688 ] [ 2.720424 2.179791 0.2128499 ] [ 1.955613 2.373981 2.741889 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.784497e-11 4.697805e-11 1.02237e-10 ] [ 3.714623e-11 2.027429e-10 7.033507e-11 ] [ 1.687176e-11 1.823848e-10 2.813644e-10 ] [ 2.523837e-10 1.233038e-11 2.780688e-10 ] [ 2.720424e-10 2.179791e-10 2.128499e-11 ] [ 1.955613e-10 2.373981e-10 2.741889e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1778959 -25.2052963 -6.2707153 ] [ -10.1184129 14.5325658 -12.6142789 ] [ -13.0839001 2.53843 10.1341818 ] [ 4.6252786 -4.3652382 1.7259804 ] [ 4.9285977 2.4666156 -3.2853113 ] [ 13.4705408 10.0329232 10.3101433 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.850206519161747e-10 -4.038333645219674e-08 -1.004679344935286e-08 ] [ -1.621148458798113e-08 2.328373716499765e-08 -2.021030274183074e-08 ] [ -2.096271884910278e-08 4.067013199537344e-09 1.623674915089686e-08 ] [ 7.410513237606554e-09 -6.993882588263075e-09 2.765325444839033e-09 ] [ 7.896484008268653e-09 3.951953846820565e-09 -5.263648956910056e-09 ] [ 2.158218553929253e-08 1.607451498932192e-08 1.651867055235776e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 5.5670319 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.919368357427804e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.9271393 -0.3835241 0.9035565 ] [ 0.2525374 1.8343168 0.4745135 ] [ 0.0337052 2.5244708 2.7929072 ] [ 2.492707 -0.0745984 2.6430693 ] [ 2.4664824 2.8303383 0.5491109 ] [ 2.4459322 2.2671298 2.9116341 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.271393e-11 -3.835241e-11 9.035565000000001e-11 ] [ 2.525374e-11 1.8343168e-10 4.745135e-11 ] [ 3.37052e-12 2.5244708e-10 2.7929072e-10 ] [ 2.492707e-10 -7.459839999999999e-12 2.6430693e-10 ] [ 2.4664824e-10 2.8303383e-10 5.491109e-11 ] [ 2.4459322e-10 2.2671298e-10 2.9116341e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.76e-05 -2.06e-05 2.72e-05 ] [ 1.97e-05 3.93e-05 -8.9e-06 ] [ -3.2e-06 -1.31e-05 1.59e-05 ] [ -1.55e-05 -2.03e-05 4.9e-06 ] [ -7.7e-06 1.86e-05 -2.79e-05 ] [ -1.09e-05 -4e-06 -1.13e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.819830852608e-14 -3.300483838848e-14 4.357920408576e-14 ] [ 3.156287942976e-14 6.296554119743999e-14 -1.425937192512e-14 ] [ -5.126965186560001e-15 -2.098851373248e-14 2.547460827072e-14 ] [ -2.48337376224e-14 -3.252418540224e-14 7.850665441919999e-15 ] [ -1.233675998016e-14 2.980048514688e-14 -4.470072772032e-14 ] [ -1.746372516672e-14 -6.4087064832e-15 -1.810459581504e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.5540646 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.53072989357329e-18 } }