{ "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" [ [ 1.825241 1.571351 1.750599 ] [ 0.5622357 3.903382 1.066374 ] [ 3.055372 3.197946 1.429481 ] [ 3.763641 1.041333 1.110804 ] [ 3.309317 1.461591 3.355414 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.825241e-10 1.571351e-10 1.750599e-10 ] [ 5.622357e-11 3.903382e-10 1.066374e-10 ] [ 3.055372e-10 3.197946e-10 1.429481e-10 ] [ 3.763641e-10 1.041333e-10 1.110804e-10 ] [ 3.309317e-10 1.461591e-10 3.355414e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.4455675 -1.797689 0.0129003 ] [ 1.5135322 -1.0944881 0.3866025 ] [ 0.8361849 6.5131027 -1.5126648 ] [ 4.056821 -3.0706695 -3.3789865 ] [ 1.0390293 -0.5502561 4.4921485 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.19291141770883e-08 -2.880215287269331e-09 2.066855906130624e-11 ] [ 2.42494590566799e-09 -1.753563245563812e-09 6.194054870428321e-10 ] [ 1.339715897445986e-09 1.043514087480936e-08 -2.423556177667108e-09 ] [ 6.499743760970477e-09 -4.919754883103626e-09 -5.413733172298819e-09 ] [ 1.664708452786189e-09 -8.816074588725869e-10 7.197215303861788e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.0988908 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.137367687337221e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3040451 1.1624956 1.8199958 ] [ 1.0715506 3.453083 1.1867846 ] [ 3.4286059 3.5405722 1.5588293 ] [ 3.5707575 1.1767296 0.7900304 ] [ 3.1408476 1.8427226 3.3570319 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3040451e-10 1.1624956e-10 1.8199958e-10 ] [ 1.0715506e-10 3.453083e-10 1.1867846e-10 ] [ 3.4286059e-10 3.5405722e-10 1.5588293e-10 ] [ 3.5707575e-10 1.1767296e-10 7.900304000000001e-11 ] [ 3.1408476e-10 1.8427226e-10 3.3570319e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.91e-05 2.12e-05 5.6e-06 ] [ -1.91e-05 -1.9e-06 -4.3e-06 ] [ 4.4e-06 -4.02e-05 1.71e-05 ] [ -1.23e-05 1.08e-05 3.3e-06 ] [ -1.21e-05 1.02e-05 -2.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.264510587328001e-14 3.396614436096001e-14 8.972189076479999e-15 ] [ -3.060157345728e-14 -3.04413557952e-15 -6.889359469440001e-15 ] [ 7.04957713152e-15 -6.440750015616e-14 2.739722021568e-14 ] [ -1.970677243584e-14 1.730350750464e-14 5.28718284864e-15 ] [ -1.938633711168e-14 1.634220153216e-14 -3.476723267136e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.393797 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.665269855474118e-18 } }