{ "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" [ [ 0.1216963 0.8434563 0.6529034 ] [ 1.22339 2.430398 0.5407666 ] [ 1.204993 2.740018 2.994063 ] [ 2.532779 1.090129 0.1823715 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.216963e-11 8.434563000000001e-11 6.529034e-11 ] [ 1.22339e-10 2.430398e-10 5.407666e-11 ] [ 1.204993e-10 2.740018e-10 2.994063e-10 ] [ 2.532779e-10 1.090129e-10 1.823715e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.0808541 -8.4823137 1.2538594 ] [ -1.5102672 17.0337228 3.0013854 ] [ -0.893193 0.1096888 -0.7826927 ] [ 8.4843142 -8.661098 -3.4725521 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.742602353783099e-09 -1.359016481239809e-08 2.008904233001259e-09 ] [ -2.419714818936604e-09 2.729103266019305e-08 4.808749557508743e-09 ] [ -1.431052954252362e-09 1.757408323714992e-10 -1.254011955542372e-09 ] [ 1.35933699667544e-08 -1.387660884038413e-08 -5.563641834967631e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.3493681 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.570632576484976e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.5077206 0.7678417 1.2337999 ] [ 1.588392 2.9150126 0.6232356 ] [ 0.6372293 2.5694049 2.7614434 ] [ 2.3495163 0.851742 -0.2483744 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.077206e-11 7.678417e-11 1.2337999e-10 ] [ 1.588392e-10 2.9150126e-10 6.232356e-11 ] [ 6.372293e-11 2.5694049e-10 2.7614434e-10 ] [ 2.3495163e-10 8.517420000000001e-11 -2.483744e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.37e-05 -3.1e-06 2.23e-05 ] [ 2.81e-05 -1.05e-05 -1.1e-06 ] [ -3.6e-05 1.1e-05 1.36e-05 ] [ -5.8e-06 2.7e-06 -3.48e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.19498198858e-14 -4.9667475654e-15 3.572853893819999e-14 ] [ 4.50211634154e-14 -1.6822854657e-14 -1.7623942974e-15 ] [ -5.7678358824e-14 1.7623942974e-14 2.17896022224e-14 ] [ -9.2926244772e-15 4.3258769118e-15 -5.575574686319999e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.547084 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.689829154163525e-18 } }