{ "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" [ [ 2.528767 2.719521 3.332257 ] [ 2.679869 4.813542 3.129006 ] [ 6.091314 2.864553 1.221181 ] [ 3.782186 2.699172 1.048642 ] [ 4.900359 1.620716 3.350029 ] [ 4.704911 4.540373 1.710823 ] [ 4.562967 3.751533 4.052534 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.528767e-10 2.719521e-10 3.332257e-10 ] [ 2.679869e-10 4.813542e-10 3.129006e-10 ] [ 6.091314e-10 2.864553e-10 1.221181e-10 ] [ 3.782186e-10 2.699172e-10 1.048642e-10 ] [ 4.900359e-10 1.620716e-10 3.350029e-10 ] [ 4.704911e-10 4.540373e-10 1.710823e-10 ] [ 4.562967000000001e-10 3.751533e-10 4.052534e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.5725569 -10.1153419 5.0196454 ] [ -6.2409776 9.977318 0.3672352 ] [ 7.8170164 -3.4740036 -2.738199 ] [ -6.6162635 -7.6132837 -13.7017223 ] [ 3.2285239 -9.1351692 4.2370313 ] [ 5.4383681 16.7794921 -6.4998118 ] [ 6.9458896 3.5809882 13.3158211 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.693910348725772e-08 -1.620656430357865e-08 8.042358504586263e-09 ] [ -9.999148401656494e-09 1.598542563788702e-08 5.883756517748121e-10 ] [ 1.252424092049018e-08 -5.565967348495035e-09 -4.387078420897939e-09 ] [ -1.060042269675238e-08 -1.219782515165772e-08 -2.1952579133754e-08 ] [ 5.172665512274037e-09 -1.463615451929224e-08 6.788472490457831e-09 ] [ 8.713226225124515e-09 2.688370995151829e-08 -1.041384650555996e-08 ] [ 1.112854192777786e-08 5.737375573400675e-09 2.133429725317534e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 17.488755 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.802007438789911e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8821463 3.0471299 3.0249335 ] [ 2.0730618 4.8540896 3.418771 ] [ 5.9161031 2.7937881 0.833932 ] [ 3.7887537 2.3678075 0.4340735 ] [ 5.5296103 1.7498556 3.9585184 ] [ 5.0564748 4.7690642 1.5716635 ] [ 5.0042231 3.4276751 4.6025802 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8821463e-10 3.0471299e-10 3.0249335e-10 ] [ 2.0730618e-10 4.8540896e-10 3.418771e-10 ] [ 5.9161031e-10 2.7937881e-10 8.339320000000001e-11 ] [ 3.7887537e-10 2.3678075e-10 4.340735e-11 ] [ 5.5296103e-10 1.7498556e-10 3.9585184e-10 ] [ 5.0564748e-10 4.7690642e-10 1.5716635e-10 ] [ 5.0042231e-10 3.4276751e-10 4.6025802e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.1079253 -0.2314488 -0.1211931 ] [ -0.0372266 0.3077906 0.1532039 ] [ -0.3985491 -0.3404399 0.2011275 ] [ 0.1247306 0.2389657 -0.4833677 ] [ 0.4895571 -0.1944391 0.0800161 ] [ -0.0697715 -0.1163273 0.1865555 ] [ -0.2166659 0.3358987 -0.0163424 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.729153924528262e-10 -3.708218562722151e-10 -1.941727514222765e-10 ] [ -5.964358819187328e-11 4.931349034220045e-10 2.454597067953811e-10 ] [ -6.385460502608813e-10 -5.4544484856749e-10 3.22241778299952e-10 ] [ 1.998404512183565e-10 3.828652577131066e-10 -7.744404281898682e-10 ] [ 7.843569401666477e-10 -3.115257801893933e-10 1.281999247075949e-10 ] [ -1.117862660981472e-10 -1.863768804207879e-10 2.988948605816545e-10 ] [ -3.471370395045907e-10 5.38169044097113e-10 -2.618341120776192e-11 ] ] } "relaxed-potential-energy" { "source-value" -28.521362 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.569625938977353e-18 } }