{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.8681208 -4.8294973 5.1787462 ] [ 0.9211468 7.4437262 -3.3412289 ] [ -7.3903249 -1.5150465 -5.1418678 ] [ 0.2169803 8.0567714 6.3662987 ] [ 4.3798005 -8.4755869 -5.4485324 ] [ 2.7603665 0.6310133 -0.0026038 ] [ 3.9801516 -1.3113802 2.389188 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.799589332990193e-09 -7.737707664276724e-09 8.29726608669684e-09 ] [ 1.475839867284734e-09 1.192616408927643e-08 -5.353238828321301e-09 ] [ -1.18406057748961e-08 -2.427372081724867e-09 -8.238180376404331e-09 ] [ 3.476407638341702e-10 1.290837077621009e-08 1.019993493816943e-08 ] [ 7.01721396486815e-09 -1.357938717873875e-08 -8.729511228951316e-09 ] [ 4.422594671139523e-09 1.010994756673857e-09 -4.17174748523904e-12 ] [ 6.376905840759714e-09 -2.101062697420028e-09 3.82790115629591e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.4317468 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.190697097466521e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9102565 3.5284041 3.3121406 ] [ 2.6404404 5.5928201 1.4882764 ] [ 1.3339792 3.6963934 1.0684061 ] [ 2.4551179 5.1522207 3.7798014 ] [ 3.2478451 2.4997149 0.684784 ] [ 4.5447175 4.2326606 1.4311803 ] [ 4.5020424 4.1283191 3.7179642 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.102565e-11 3.5284041e-10 3.3121406e-10 ] [ 2.6404404e-10 5.5928201e-10 1.4882764e-10 ] [ 1.3339792e-10 3.6963934e-10 1.0684061e-10 ] [ 2.4551179e-10 5.1522207e-10 3.7798014e-10 ] [ 3.2478451e-10 2.4997149e-10 6.84784e-11 ] [ 4.5447175e-10 4.2326606e-10 1.4311803e-10 ] [ 4.5020424e-10 4.1283191e-10 3.7179642e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.02e-05 -6.3e-06 -2.31e-05 ] [ -2e-06 1.72e-05 -1.75e-05 ] [ 3.5e-06 8e-07 4.03e-05 ] [ 2.07e-05 -1.29e-05 -7.2e-06 ] [ -5e-07 -6.8e-06 -3.5e-06 ] [ -2.3e-06 5.4e-06 5e-06 ] [ -9.3e-06 2.6e-06 6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.634220153216e-14 -1.009371271104e-14 -3.701027994048e-14 ] [ -3.2043532416e-15 2.755743787776e-14 -2.8038090864e-14 ] [ 5.6076181728e-15 1.28174129664e-15 6.456771781824e-14 ] [ 3.316505605055999e-14 -2.066807840832e-14 -1.153567166976e-14 ] [ -8.010883104e-16 -1.089480102144e-14 -5.6076181728e-15 ] [ -3.68500622784e-15 8.65175375232e-15 8.010883104e-15 ] [ -1.490024257344e-14 4.16565921408e-15 9.6130597248e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.403283 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.307660328536609e-18 } }