{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9308362 -1.3755831 -1.8910607 ] [ 0.3268406 -0.1455086 1.5877583 ] [ -0.3154073 -0.8157431 -1.3328026 ] [ -4.2937565 -3.7619954 5.0700304 ] [ 1.6979914 6.5935686 -2.8253359 ] [ -0.5990163 0.2047478 -1.4872606 ] [ 4.1141843 -0.6994862 0.8786712 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.491363997434313e-09 -2.203927082787589e-09 -3.029813242053683e-09 ] [ 5.236563680482445e-10 -2.331304770453388e-10 2.543869227741152e-09 ] [ -5.053382020896519e-10 -1.306964523398916e-09 -2.135385165861454e-09 ] [ -6.879356279708035e-09 -6.027381077437144e-09 8.123084173625273e-09 ] [ 2.720482123399461e-09 1.056406145856099e-08 -4.526687124886927e-09 ] [ -9.597299113381189e-10 3.280421383202343e-10 -2.38285416235698e-09 ] [ 6.591649899122413e-09 -1.120700436212233e-09 1.407786454010281e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.939716158928928 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.516474364023906e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.8351582 1.0207877 2.5977676 ] [ 2.6053365 2.4627348 0.7258242 ] [ 1.0605168 2.8002416 2.5413338 ] [ 2.278689 2.3308798 4.6697326 ] [ 2.5810864 4.3771285 3.4833433 ] [ 4.2719355 3.2178357 2.2600971 ] [ 4.5362306 1.7185249 4.099655 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8351582e-10 1.0207877e-10 2.5977676e-10 ] [ 2.6053365e-10 2.4627348e-10 7.258242000000001e-11 ] [ 1.0605168e-10 2.8002416e-10 2.5413338e-10 ] [ 2.278689e-10 2.3308798e-10 4.669732599999999e-10 ] [ 2.5810864e-10 4.377128500000001e-10 3.4833433e-10 ] [ 4.2719355e-10 3.2178357e-10 2.2600971e-10 ] [ 4.5362306e-10 1.7185249e-10 4.099655e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.74e-05 -1.64e-05 -1.41e-05 ] [ -2.62e-05 -3.88e-05 -5.91e-05 ] [ 1.43e-05 -6.8e-06 1.25e-05 ] [ 8.9e-06 4.3e-06 -1.09e-05 ] [ 1.12e-05 -1.69e-05 6.69e-05 ] [ 6.13e-05 2.8e-05 -1.55e-05 ] [ -4.21e-05 4.66e-05 2.02e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.389963940992e-14 -2.627569658112e-14 -2.259069035328e-14 ] [ -4.197702746496e-14 -6.216445288704e-14 -9.468863828927999e-14 ] [ 2.291112567744e-14 -1.089480102144e-14 2.002720776e-14 ] [ 1.425937192512e-14 6.889359469440001e-15 -1.746372516672e-14 ] [ 1.794437815296e-14 -2.707678489152e-14 1.0718561593152e-13 ] [ 9.821342685504e-14 4.48609453824e-14 -2.48337376224e-14 ] [ -6.745163573568001e-14 7.466143052928e-14 3.236396774016e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.097630158928926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.297383372452091e-18 } }