{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.146483 1.678803 1.689789 ] [ 0.9939717 3.024801 3.865516 ] [ 2.198915 3.863733 1.927968 ] [ 4.22715 2.33689 1.172014 ] [ 3.633184 2.755923 3.714191 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.146483e-10 1.678803e-10 1.689789e-10 ] [ 9.939717000000001e-11 3.024801e-10 3.865516e-10 ] [ 2.198915e-10 3.863733e-10 1.927968e-10 ] [ 4.22715e-10 2.33689e-10 1.172014e-10 ] [ 3.633184e-10 2.755923e-10 3.714191e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9667019 -1.3414955 4.1770837 ] [ 2.6177191 -2.0902454 -2.2671909 ] [ -0.4376106 3.8216064 -0.1781881 ] [ 2.7827449 0.3681981 0.135143 ] [ -1.9961515 -0.7580636 -1.8668477 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.753180464223404e-09 -2.149312744716146e-09 6.692425902402265e-09 ] [ 4.194048376395509e-09 -3.348942339205983e-09 -3.63244028479743e-09 ] [ -7.011294781107204e-10 6.122888478424857e-09 -2.854888102768554e-10 ] [ 4.458448857162666e-09 5.899183925031953e-10 2.16522956848662e-10 ] [ -3.198187291224051e-09 -1.214551787005922e-09 -2.991019764176642e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.402699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.307566780433516e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0219826 1.4899831 1.9318618 ] [ 1.0313712 2.9637466 3.7768137 ] [ 2.3283147 4.0503092 1.8547167 ] [ 4.2485104 2.5003134 1.1709775 ] [ 3.5695249 2.6557977 3.6351083 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0219826e-10 1.4899831e-10 1.9318618e-10 ] [ 1.0313712e-10 2.9637466e-10 3.7768137e-10 ] [ 2.3283147e-10 4.0503092e-10 1.8547167e-10 ] [ 4.2485104e-10 2.5003134e-10 1.1709775e-10 ] [ 3.5695249e-10 2.6557977e-10 3.6351083e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.9e-06 -6.8e-06 -4.9e-06 ] [ -6.6e-06 1.2e-06 5.2e-06 ] [ -1.7e-06 7.5e-06 -4.8e-06 ] [ 2.9e-06 -1.1e-06 -3.2e-06 ] [ 7.3e-06 -8e-07 7.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.0441356046e-15 -1.08948011112e-14 -7.850665506599998e-15 ] [ -1.05743657844e-14 1.9226119608e-15 8.331318496799998e-15 ] [ -2.7237002778e-15 1.2016324755e-14 -7.690447843199998e-15 ] [ 4.6463122386e-15 -1.7623942974e-15 -5.1269652288e-15 ] [ 1.16958894282e-14 -1.2817413072e-15 1.23367600818e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.118168 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.582415215248651e-18 } }