{ "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" [ [ 1.992263 2.655886 1.517325 ] [ 2.686183 2.997874 4.828117 ] [ 1.135569 3.58045 3.551064 ] [ 3.228076 1.641916 3.257925 ] [ 4.134079 3.318369 1.708542 ] [ 3.231459 4.785804 3.060879 ] [ 4.593203 3.196107 3.900565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992263e-10 2.655886e-10 1.517325e-10 ] [ 2.686183e-10 2.997874e-10 4.828117e-10 ] [ 1.135569e-10 3.58045e-10 3.551064e-10 ] [ 3.228076e-10 1.641916e-10 3.257925e-10 ] [ 4.134079e-10 3.318369e-10 1.708542e-10 ] [ 3.231459e-10 4.785804e-10 3.060879e-10 ] [ 4.593203e-10 3.196107e-10 3.900565e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.6864861 -2.1632756 -2.705732 ] [ -1.7032 0.9956504 9.9110229 ] [ -6.4944575 3.4626998 -3.1291369 ] [ 0.5547028 -9.1262634 -4.0242305 ] [ 3.4744388 -1.3171219 -5.5317539 ] [ -2.0349876 6.3577256 2.7741365 ] [ 9.8899896 1.7905851 2.7056939 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.906401842324172e-09 -3.465949590667093e-09 -4.335060552550425e-09 ] [ -2.72882722054656e-09 1.595207793370168e-09 1.587920917859342e-08 ] [ -1.040526797127922e-08 5.547856664408836e-09 -5.013429984462588e-09 ] [ 8.887318576522984e-10 -1.462188585474272e-08 -6.447528023810294e-09 ] [ 5.566664615760408e-09 -2.110261914923676e-09 -8.86284677059922e-09 ] [ -3.260409556337902e-09 1.018619931778165e-08 4.444656643207939e-09 ] [ 1.584551011707514e-08 2.86883358477283e-09 4.334999509621174e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.723382 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.839598828190755e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8062475 2.3791676 1.6029983 ] [ 2.6016853 3.0006589 4.8801147 ] [ 1.0453085 3.8794064 3.2385634 ] [ 3.4129673 1.4012105 3.1363716 ] [ 4.0296837 3.351022 1.6348692 ] [ 3.2184217 4.9504647 3.3786263 ] [ 4.886518 3.2144759 3.9528735 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8062475e-10 2.3791676e-10 1.6029983e-10 ] [ 2.6016853e-10 3.0006589e-10 4.8801147e-10 ] [ 1.0453085e-10 3.8794064e-10 3.2385634e-10 ] [ 3.4129673e-10 1.4012105e-10 3.1363716e-10 ] [ 4.0296837e-10 3.351022e-10 1.6348692e-10 ] [ 3.2184217e-10 4.950464700000001e-10 3.3786263e-10 ] [ 4.886518e-10 3.2144759e-10 3.9528735e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.6e-06 2.51e-05 1.12e-05 ] [ -6.1e-06 -1.16e-05 -2.12e-05 ] [ -1e-06 1.37e-05 2.3e-05 ] [ 5.7e-06 -8e-06 8.5e-06 ] [ 1.37e-05 -2.4e-06 -7.9e-06 ] [ -1.76e-05 -2.94e-05 -2.57e-05 ] [ 2.6e-06 1.26e-05 1.21e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.16565921408e-15 4.021463318208e-14 1.794437815296e-14 ] [ -9.77327738688e-15 -1.858524880128e-14 -3.396614436096001e-14 ] [ -1.6021766208e-15 2.194981970496e-14 3.68500622784e-14 ] [ 9.13240673856e-15 -1.28174129664e-14 1.36185012768e-14 ] [ 2.194981970496e-14 -3.84522388992e-15 -1.265719530432e-14 ] [ -2.819830852608e-14 -4.710399265152e-14 -4.117593915456e-14 ] [ 4.16565921408e-15 2.018742542208e-14 1.938633711168e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.563325 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.615043180251216e-18 } }