{ "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" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -23.7989893 -14.7687921 2.9098011 ] [ 9.4877943 -9.3662814 -7.9510235 ] [ 6.7183096 -17.8395414 3.6375263 ] [ 13.4167483 17.2623302 4.3400788 ] [ -9.242455 -1.3697417 -25.7668156 ] [ 11.1202231 2.5919833 17.0375187 ] [ -7.7016309 23.4900431 5.7929142 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.813018425512936e-08 -2.366221342007574e-08 4.662015293598124e-09 ] [ 1.52011222104195e-08 -1.500643708291389e-08 -1.273894396313139e-08 ] [ 1.07639185724162e-08 -2.858209615687371e-08 5.827959595405127e-09 ] [ 2.149600045341814e-08 2.765730186696979e-08 6.953572785789718e-09 ] [ -1.480804531979606e-08 -2.194568128274847e-09 -4.128298954678473e-08 ] [ 1.78165614689001e-08 4.152815044764033e-09 2.729711413758281e-08 ] [ -1.233937297001086e-08 3.763519787640436e-08 9.281271697540335e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.1322325 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.620566303209936e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.2907535 2.1404103 2.8159066 ] [ 5.4646274 2.0833829 1.5459504 ] [ 4.4377639 1.2268708 3.6204064 ] [ 5.4289344 4.4738817 2.3871849 ] [ 3.4216399 3.4724154 0.9800716 ] [ 4.8824518 3.4334451 4.6326861 ] [ 2.9707381 4.5180487 3.370777 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2907535e-10 2.1404103e-10 2.8159066e-10 ] [ 5.464627400000001e-10 2.0833829e-10 1.5459504e-10 ] [ 4.4377639e-10 1.2268708e-10 3.6204064e-10 ] [ 5.4289344e-10 4.4738817e-10 2.3871849e-10 ] [ 3.4216399e-10 3.4724154e-10 9.800716000000001e-11 ] [ 4.882451800000001e-10 3.4334451e-10 4.6326861e-10 ] [ 2.9707381e-10 4.5180487e-10 3.370777e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.5e-06 2.6e-06 -6.5e-06 ] [ -4.6e-06 1.37e-05 8.4e-06 ] [ 1e-06 -3e-07 -3.5e-06 ] [ 1.52e-05 -8.9e-06 -2.8e-06 ] [ -4.2e-06 -1.39e-05 2e-07 ] [ -4.4e-06 1e-06 -9.4e-06 ] [ -7.5e-06 5.8e-06 1.36e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.2097947936e-15 4.16565921408e-15 -1.04141480352e-14 ] [ -7.370012455680001e-15 2.194981970496e-14 1.345828361472e-14 ] [ 1.6021766208e-15 -4.8065298624e-16 -5.6076181728e-15 ] [ 2.435308463616e-14 -1.425937192512e-14 -4.48609453824e-15 ] [ -6.72914180736e-15 -2.227025502912e-14 3.2043532416e-16 ] [ -7.04957713152e-15 1.6021766208e-15 -1.506046023552e-14 ] [ -1.2016324656e-14 9.292624400640001e-15 2.178960204288e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759033381772e-18 } }