{ "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" [ [ 1.891577 1.147444 4.176951 ] [ 1.947528 5.315412 2.001915 ] [ 3.037668 3.274696 0.9821769 ] [ 1.344392 3.383525 2.90788 ] [ 3.679276 1.837825 2.704146 ] [ 4.016034 4.351153 3.141989 ] [ 3.129852 3.103182 4.716137 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.891577e-10 1.147444e-10 4.176951e-10 ] [ 1.947528e-10 5.315412000000001e-10 2.001915e-10 ] [ 3.037668e-10 3.274696e-10 9.821769000000001e-11 ] [ 1.344392e-10 3.383525e-10 2.90788e-10 ] [ 3.679276000000001e-10 1.837825e-10 2.704146e-10 ] [ 4.016034e-10 4.351153e-10 3.141989e-10 ] [ 3.129852e-10 3.103182e-10 4.716137e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5920599 -1.8995618 0.5741571 ] [ 0.7911381 3.2747289 -1.6044608 ] [ -0.1148492 1.0932038 -3.2724715 ] [ -5.3784673 -2.0641878 1.0109919 ] [ 3.1935889 -4.4208162 -1.1542799 ] [ 3.2900418 4.2484824 -2.0168799 ] [ -0.1893925 -0.2318492 6.4629432 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.550761150693186e-09 -3.043433505724766e-09 9.199010822863277e-10 ] [ 1.267542967644132e-09 5.246694083038101e-09 -2.570629582750065e-09 ] [ -1.840087031575834e-10 1.751505570129719e-09 -5.243077329534308e-09 ] [ -8.6172545637973e-09 -3.307193434100586e-09 1.619787585998172e-09 ] [ 5.116693472026389e-09 -7.082928360493897e-09 -1.849360269639362e-09 ] [ 5.271228053414749e-09 6.806819175160275e-09 -3.231397822741442e-09 ] [ -3.03440235654864e-10 -3.714633677911834e-10 1.035477649659834e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -21.560029 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.454297440757e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8325824 1.0593997 4.1463915 ] [ 2.0487262 5.4608501 1.823711 ] [ 2.9454538 3.3486949 0.8911361 ] [ 1.3410583 3.3048626 3.014037 ] [ 3.7755019 1.8004768 2.7492329 ] [ 3.9854835 4.4302294 3.0332343 ] [ 3.1175209 3.0087235 4.9734522 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8325824e-10 1.0593997e-10 4.1463915e-10 ] [ 2.0487262e-10 5.4608501e-10 1.823711e-10 ] [ 2.9454538e-10 3.3486949e-10 8.911361e-11 ] [ 1.3410583e-10 3.3048626e-10 3.014037e-10 ] [ 3.7755019e-10 1.8004768e-10 2.7492329e-10 ] [ 3.9854835e-10 4.4302294e-10 3.0332343e-10 ] [ 3.1175209e-10 3.0087235e-10 4.9734522e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.87e-05 -6.53e-05 -1.71e-05 ] [ -3.52e-05 -1.3e-06 -1.05e-05 ] [ 3.94e-05 5.8e-06 -2.39e-05 ] [ -4.2e-06 1.37e-05 4.33e-05 ] [ -1.81e-05 -3.47e-05 4.9e-06 ] [ 2.64e-05 2.7e-05 1.82e-05 ] [ 3.04e-05 5.48e-05 -1.5e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.200423522496e-14 -1.0462213333824e-13 -2.739722021568e-14 ] [ -5.639661705216e-14 -2.08282960704e-15 -1.68228545184e-14 ] [ 6.312575885952001e-14 9.292624400640001e-15 -3.829202123712e-14 ] [ -6.72914180736e-15 2.194981970496e-14 6.937424768064e-14 ] [ -2.899939683648e-14 -5.559552874176001e-14 7.850665441919999e-15 ] [ 4.229746278912e-14 4.32587687616e-14 2.915961449856e-14 ] [ 4.870616927232e-14 8.779927881984e-14 -2.4032649312e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.579661 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.777878158058956e-18 } }