{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.5633223 0.534565 2.657113 ] [ 0.571871 1.718695 0.3060373 ] [ 0.67165 2.82724 1.843012 ] [ 2.670346 0.5025148 0.7068498 ] [ 2.297338 0.3834159 2.609917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.633223000000001e-11 5.34565e-11 2.657113e-10 ] [ 5.71871e-11 1.718695e-10 3.060373e-11 ] [ 6.7165e-11 2.82724e-10 1.843012e-10 ] [ 2.670346e-10 5.025148000000001e-11 7.068498e-11 ] [ 2.297338e-10 3.834159e-11 2.609917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.4064918 0.8522036 2.2010364 ] [ 0.5091172 -3.5849841 -5.5957837 ] [ -0.0268851 3.7421205 4.8616834 ] [ 1.4168491 0.7589898 -6.3520094 ] [ 10.5074106 -1.7683298 4.8850732 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.987739110810691e-08 1.365380684081595e-09 3.526449061609798e-09 ] [ 8.156956750871579e-10 -5.743777710959729e-09 -8.96543381919372e-09 ] [ -4.307467866787008e-11 5.995537977316407e-09 7.789275481211456e-09 ] [ 2.270042503221522e-09 1.216035712985668e-09 -1.017704095578184e-08 ] [ 1.68347276084661e-08 -2.83317666342394e-09 7.826750071936643e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.1203129 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.601468998760649e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.399769 0.8236873 2.7251266 ] [ 0.7053943 1.4459361 0.2921403 ] [ 0.3742354 3.0874599 1.9856222 ] [ 2.7835365 0.5815398 0.476983 ] [ 2.5115922 0.0278076 2.6430571 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.99769e-11 8.236873e-11 2.7251266e-10 ] [ 7.053943e-11 1.4459361e-10 2.921403e-11 ] [ 3.742354e-11 3.0874599e-10 1.9856222e-10 ] [ 2.7835365e-10 5.815398e-11 4.76983e-11 ] [ 2.5115922e-10 2.78076e-12 2.6430571e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.5e-06 1e-07 -1.09e-05 ] [ 1.19e-05 -1.96e-05 1.9e-05 ] [ 9e-06 1.5e-06 -2e-06 ] [ -1.19e-05 1.65e-05 -4.8e-06 ] [ -7.5e-06 1.6e-06 -1.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.4032649312e-15 1.6021766208e-16 -1.746372516672e-14 ] [ 1.906590178752e-14 -3.140266176767999e-14 3.04413557952e-14 ] [ 1.44195895872e-14 2.4032649312e-15 -3.2043532416e-15 ] [ -1.906590178752e-14 2.64359142432e-14 -7.69044777984e-15 ] [ -1.2016324656e-14 2.56348259328e-15 -2.08282960704e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.4764858 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.358082737530319e-18 } }