{ "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" [ [ 1.442259 2.324158 2.548252 ] [ 2.158618 1.41899 4.605472 ] [ 2.34516 4.213318 2.000238 ] [ 2.029556 3.900131 4.500233 ] [ 3.591834 1.471441 2.657937 ] [ 4.338938 2.513725 4.512162 ] [ 5.128703 3.807673 2.402827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.442259e-10 2.324158e-10 2.548252e-10 ] [ 2.158618e-10 1.41899e-10 4.605472e-10 ] [ 2.34516e-10 4.213318e-10 2.000238e-10 ] [ 2.029556e-10 3.900131e-10 4.500233e-10 ] [ 3.591834e-10 1.471441e-10 2.657937e-10 ] [ 4.338938e-10 2.513725e-10 4.512162e-10 ] [ 5.128703e-10 3.807673e-10 2.402827e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.7483572 -1.2643203 -4.931348 ] [ -2.8931859 -3.0300851 5.0225047 ] [ 0.8791498 2.5904906 -0.7681124 ] [ -0.2240928 3.9323199 3.0673141 ] [ 3.6212091 -5.2232656 -5.7866737 ] [ 4.1720518 2.3522033 3.7357033 ] [ -0.8067749 0.6426571 -0.3393881 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.607706955725664e-09 -2.02566444255187e-09 -7.900890539722631e-09 ] [ -4.63539484679826e-09 -4.854731546251553e-09 8.046939674495178e-09 ] [ 1.408553267345773e-09 4.15042350991664e-09 -1.230651739565662e-09 ] [ -3.590362480076351e-10 6.300271061193216e-09 4.914378980158739e-09 ] [ 5.801816606848169e-09 -8.36859409749599e-09 -9.271273390722326e-09 ] [ 6.684363909797641e-09 3.768645165677692e-09 5.985256538816692e-09 ] [ -1.292595893677687e-09 1.029650189294201e-09 -5.437596836776555e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -12.537698 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.008760677974853e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6659574 1.8921186 2.3200406 ] [ 1.9594787 1.8878456 4.72444 ] [ 2.3410113 4.2897748 2.3246419 ] [ 2.0600273 4.4533658 4.8153595 ] [ 4.024451 1.1396885 1.89497 ] [ 4.3407518 2.4284125 4.6463043 ] [ 4.6433907 3.5582302 2.5013647 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6659574e-10 1.8921186e-10 2.3200406e-10 ] [ 1.9594787e-10 1.8878456e-10 4.72444e-10 ] [ 2.3410113e-10 4.2897748e-10 2.3246419e-10 ] [ 2.0600273e-10 4.453365800000001e-10 4.8153595e-10 ] [ 4.024451e-10 1.1396885e-10 1.89497e-10 ] [ 4.3407518e-10 2.4284125e-10 4.6463043e-10 ] [ 4.643390700000001e-10 3.5582302e-10 2.5013647e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-06 5.26e-05 4.5e-06 ] [ 7e-07 -1.1e-05 -2.79e-05 ] [ 1.21e-05 1.5e-06 3.17e-05 ] [ -1.49e-05 -3.5e-05 -2.52e-05 ] [ -2.16e-05 -8.79e-05 0.0001141 ] [ 1.17e-05 -4.71e-05 -6.47e-05 ] [ 9e-06 0.0001269 -3.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.806529901999999e-15 8.42744909484e-14 7.209794853e-15 ] [ 1.1215236438e-15 -1.7623942974e-14 -4.470072808859999e-14 ] [ 1.93863372714e-14 2.403264951e-15 5.078899929779999e-14 ] [ -2.38724318466e-14 -5.607618218999999e-14 -4.037485117679999e-14 ] [ -3.46070152944e-14 -1.408313261286e-13 1.828083539394e-13 ] [ 1.87454666178e-14 -7.546251946139999e-14 -1.036608282198e-13 ] [ 1.4419589706e-14 2.033162148546e-13 -5.207074060499999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.714404 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.998378080803613e-18 } }