{ "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" [ [ 0.1854996 0.4736791 1.206297 ] [ 0.6742688 0.1009159 2.297624 ] [ 0.6067687 1.83215 2.754335 ] [ 0.1838578 2.712055 1.507331 ] [ 1.981528 1.354685 0.3328332 ] [ 2.901733 2.736996 1.329123 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.854996e-11 4.736791e-11 1.206297e-10 ] [ 6.742688e-11 1.009159e-11 2.297624e-10 ] [ 6.067687000000001e-11 1.83215e-10 2.754335e-10 ] [ 1.838578e-11 2.712055e-10 1.507331e-10 ] [ 1.981528e-10 1.354685e-10 3.328332e-11 ] [ 2.901733e-10 2.736996e-10 1.329123e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -36.7401488 4.4987303 -71.315595 ] [ 28.2174381 -49.5359114 68.6091436 ] [ 0.8183433 9.8287359 39.2007934 ] [ -15.3365223 33.5921041 -16.4303494 ] [ 14.695445 -4.1679931 -21.796181 ] [ 8.3454447 5.7843341 1.7321884 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.886420745207318e-08 7.20776050994457e-09 -1.142601790074414e-07 ] [ 4.520931962269117e-08 -7.93652791351002e-08 1.099239658490299e-07 ] [ 1.311130503048321e-09 1.574737087099765e-08 6.280659470229095e-08 ] [ -2.457181747343785e-08 5.382048383249983e-08 -2.632432168025531e-08 ] [ 2.354469841125226e-08 -6.677861100475717e-09 -3.492133162092517e-08 ] [ 1.337087638851927e-08 9.267524861916209e-09 2.775271757300959e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 41.327363 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.621373479791495e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0845186 0.5700461 0.4717998 ] [ 0.6501862 -0.0987115 2.7834989 ] [ 1.1001179 2.3008268 3.1720243 ] [ -0.601091 2.7417619 1.4334509 ] [ 2.2885584 1.2323722 -0.1774968 ] [ 3.0113659 2.4641855 1.744266 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.45186e-12 5.700461e-11 4.717998e-11 ] [ 6.501862e-11 -9.87115e-12 2.7834989e-10 ] [ 1.1001179e-10 2.3008268e-10 3.1720243e-10 ] [ -6.010910000000001e-11 2.7417619e-10 1.4334509e-10 ] [ 2.2885584e-10 1.2323722e-10 -1.774968e-11 ] [ 3.0113659e-10 2.4641855e-10 1.744266e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.4e-06 1.03e-05 -7.3e-06 ] [ 2.2e-06 4.9e-06 1.5e-06 ] [ 4.4e-06 1e-05 8.7e-06 ] [ -7.8e-06 -1.01e-05 2e-06 ] [ 5.1e-06 -1.5e-06 -2.7e-06 ] [ -8.4e-06 -1.36e-05 -2.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.04957713152e-15 1.650241919424e-14 -1.169588933184e-14 ] [ 3.52478856576e-15 7.850665441919999e-15 2.4032649312e-15 ] [ 7.04957713152e-15 1.6021766208e-14 1.393893660096e-14 ] [ -1.249697764224e-14 -1.618198387008e-14 3.2043532416e-15 ] [ 8.17110076608e-15 -2.4032649312e-15 -4.32587687616e-15 ] [ -1.345828361472e-14 -2.178960204288e-14 -3.68500622784e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.9625962 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.435966209331092e-18 } }