{ "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" [ [ -36.4425434 -45.3081036 -26.9248943 ] [ -21.0506634 -18.4697721 26.6679206 ] [ 26.707876 34.5558573 -0.5486921 ] [ 13.7253709 23.0337271 15.9285236 ] [ 18.0905357 -8.8148894 -41.2621914 ] [ 15.8711358 17.9902168 39.4636095 ] [ -16.9017115 -2.9870361 -13.3242758 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.83873915190109e-08 -7.259158491877128e-08 -4.313843652037978e-08 ] [ -3.3726881029679e-08 -2.959183729392511e-08 4.272671926268726e-08 ] [ 4.279073487096937e-08 5.536458713389832e-08 -8.791016618803914e-10 ] [ 2.199046854896355e-08 3.690409935355258e-08 2.552030832603756e-08 ] [ 2.898423359508283e-08 -1.412300982797428e-08 -6.610931892871574e-08 ] [ 2.54283629338009e-08 2.882350499755425e-08 6.32276730342004e-08 ] [ -2.707952723990909e-08 -4.785759444334487e-09 -2.134784335173166e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 12.330304 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.975532495891674e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3532768 2.0308095 1.936274 ] [ 1.8739401 1.4388757 4.6641993 ] [ 2.2455044 4.5647074 2.2302291 ] [ 2.2162488 4.2466602 4.9137192 ] [ 3.9326234 0.9688383 2.4675518 ] [ 4.6226851 2.7407046 4.8484525 ] [ 4.7907893 3.6588402 2.1666953 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3532768e-10 2.0308095e-10 1.936274e-10 ] [ 1.8739401e-10 1.4388757e-10 4.6641993e-10 ] [ 2.2455044e-10 4.5647074e-10 2.2302291e-10 ] [ 2.2162488e-10 4.2466602e-10 4.9137192e-10 ] [ 3.9326234e-10 9.688383e-11 2.4675518e-10 ] [ 4.6226851e-10 2.7407046e-10 4.8484525e-10 ] [ 4.790789300000001e-10 3.658840200000001e-10 2.1666953e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.1e-05 -5.6e-06 -1.12e-05 ] [ -3.1e-05 1.01e-05 -5e-06 ] [ -2.65e-05 1.21e-05 1.01e-05 ] [ 1.71e-05 -2.43e-05 1.2e-05 ] [ 8.1e-06 1.2e-05 6.4e-06 ] [ 9.4e-06 2.76e-05 -1.08e-05 ] [ 1.2e-05 -3.19e-05 -1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.7623942974e-14 -8.972189150399999e-15 -1.79443783008e-14 ] [ -4.966747565399999e-14 1.61819840034e-14 -8.010883169999999e-15 ] [ -4.2457680801e-14 1.93863372714e-14 1.61819840034e-14 ] [ 2.73972204414e-14 -3.893289220619999e-14 1.9226119608e-14 ] [ 1.29776307354e-14 1.9226119608e-14 1.02539304576e-14 ] [ 1.50604603596e-14 4.42200750984e-14 -1.73035076472e-14 ] [ 1.9226119608e-14 -5.11094346246e-14 -2.403264951e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.651734 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148554903238336e-18 } }