{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9423193 -3.3937065 -6.653681 ] [ 0.2556686 -0.7310019 -2.1123565 ] [ -7.5396417 -5.6682751 2.1668231 ] [ -2.8396282 1.4623387 0.3192234 ] [ 7.2969806 -3.21596 3.2728817 ] [ 2.7999924 4.1310471 -1.3730755 ] [ 2.9689476 7.4155578 4.3801847 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.714115232227236e-09 -5.437317256953921e-09 -1.066037222828975e-08 ] [ 4.096262569674924e-10 -1.171194163589605e-09 -3.384368226978021e-09 ] [ -1.207983776047204e-08 -9.081577920304013e-09 3.471633340831445e-09 ] [ -4.549585951287478e-09 2.342924896133936e-09 5.114522725060355e-10 ] [ 1.16910518160713e-08 -5.15253596787864e-09 5.243734585586198e-09 ] [ 4.48608239865758e-09 6.61866713757346e-09 -2.199909482817867e-09 ] [ 4.756778472290377e-09 1.188103343523644e-08 7.017829578944299e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.510484 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.805488831483086e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9297893 1.437366 1.309277 ] [ 2.0274776 2.4789839 5.1325957 ] [ 1.2764009 1.3423736 3.0568948 ] [ 0.7984813 3.7134003 3.4036133 ] [ 3.8098125 1.735646 3.6068342 ] [ 4.1919839 3.4118605 1.8217745 ] [ 3.1434793 4.2630807 3.8149985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9297893e-10 1.437366e-10 1.309277e-10 ] [ 2.0274776e-10 2.4789839e-10 5.132595700000001e-10 ] [ 1.2764009e-10 1.3423736e-10 3.0568948e-10 ] [ 7.984813e-11 3.7134003e-10 3.4036133e-10 ] [ 3.8098125e-10 1.735646e-10 3.6068342e-10 ] [ 4.1919839e-10 3.4118605e-10 1.8217745e-10 ] [ 3.1434793e-10 4.2630807e-10 3.8149985e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.8e-06 5e-06 1.19e-05 ] [ -4e-06 -1.17e-05 5.4e-06 ] [ 4e-06 -1.79e-05 -9e-07 ] [ 5e-07 1.75e-05 -2e-06 ] [ 3.9e-06 0.0 -1.14e-05 ] [ 9.7e-06 -5.1e-06 9e-07 ] [ -6.3e-06 1.22e-05 -4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.24969777452e-14 8.010883169999999e-15 1.90659019446e-14 ] [ -6.408706535999999e-15 -1.87454666178e-14 8.6517538236e-15 ] [ 6.408706535999999e-15 -2.86789617486e-14 -1.4419589706e-15 ] [ 8.010883169999999e-16 2.8038091095e-14 -3.204353268e-15 ] [ 6.248488872599999e-15 0.0 -1.82648136276e-14 ] [ 1.55411133498e-14 -8.1711008334e-15 1.4419589706e-15 ] [ -1.00937127942e-14 1.95465549348e-14 -6.408706535999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.454609 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.437407323140611e-18 } }