{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.540429 -3.0302618 1.8208544 ] [ 4.7312539 6.4013845 -1.4809672 ] [ 3.4539009 4.3698205 1.0334979 ] [ 5.2261232 -5.8326367 0.4205683 ] [ -6.0049274 1.5670661 6.7012679 ] [ -3.9598312 1.7404254 -1.786738 ] [ -3.9869484 -5.215798 -6.7084835 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.658627090023232e-10 -4.855014610863326e-09 2.917330349560811e-09 ] [ 7.58030438564882e-09 1.02561485866515e-08 -2.372771024011638e-09 ] [ 5.533759272540079e-09 7.001224242192567e-09 1.655846173025896e-09 ] [ 8.373172408460483e-09 -9.344914158360063e-09 6.738246977096007e-10 ] [ -9.620954289881329e-09 2.510716668668235e-09 1.073661475909751e-08 ] [ -6.344348970954409e-09 2.788468886126488e-09 -2.862669851094951e-09 ] [ -6.387795514815967e-09 -8.356629614415398e-09 -1.074817542472256e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -32.962349 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.281150493445027e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.725879 2.4158166 1.8058319 ] [ 2.7036717 2.3270134 4.0099055 ] [ 3.5018838 4.4876072 1.8992809 ] [ 1.6409872 3.9535944 2.9567313 ] [ 4.5666349 2.8578639 2.9545038 ] [ 4.591715 2.948128 0.7452774 ] [ 3.4781815 4.3947894 4.1031702 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.725879e-10 2.4158166e-10 1.8058319e-10 ] [ 2.7036717e-10 2.3270134e-10 4.0099055e-10 ] [ 3.5018838e-10 4.487607200000001e-10 1.8992809e-10 ] [ 1.6409872e-10 3.9535944e-10 2.9567313e-10 ] [ 4.5666349e-10 2.8578639e-10 2.9545038e-10 ] [ 4.591715e-10 2.948128e-10 7.452774e-11 ] [ 3.4781815e-10 4.3947894e-10 4.1031702e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.58e-05 1.16e-05 -1.14e-05 ] [ 4.47e-05 -6.65e-05 4.26e-05 ] [ 0.0001283 3.39e-05 -2.51e-05 ] [ -7.29e-05 5.48e-05 -6.76e-05 ] [ 7.72e-05 6.86e-05 -0.0001277 ] [ -0.0001357 -8.86e-05 6.75e-05 ] [ -9.75e-05 -1.39e-05 0.0001217 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.940145544064e-14 1.858524880128e-14 -1.826481347712e-14 ] [ 7.161729494976001e-14 -1.065447452832e-13 6.825272404608e-14 ] [ 2.0555926044864e-13 5.431378744512e-14 -4.021463318208e-14 ] [ -1.1679867565632e-13 8.779927881984e-14 -1.0830713956608e-13 ] [ 1.2368803512576e-13 1.0990931618688e-13 -2.0459795447616e-13 ] [ -2.1741536744256e-13 -1.4195284860288e-13 1.08146921904e-13 ] [ -1.56212220528e-13 -2.227025502912e-14 1.9498489475136e-13 ] ] } "relaxed-potential-energy" { "source-value" -50.517683 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.093825063958561e-18 } }