{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.248369 0.1750326 1.959235 ] [ 0.2041437 1.690187 0.8451771 ] [ 0.5672117 2.337944 2.235934 ] [ 2.305261 0.0188332 0.1900716 ] [ 2.629759 0.4646214 2.471997 ] [ 1.518408 2.931316 1.102854 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.248369e-10 1.750326e-11 1.959235e-10 ] [ 2.041437e-11 1.690187e-10 8.451771e-11 ] [ 5.672117e-11 2.337944e-10 2.235934e-10 ] [ 2.305261e-10 1.88332e-12 1.900716e-11 ] [ 2.629759e-10 4.646214e-11 2.471997e-10 ] [ 1.518408e-10 2.931316e-10 1.102854e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -65.1999215 -25.9916497 -18.8190678 ] [ -44.787553 -42.2714581 -61.1396263 ] [ -23.2833052 14.7490057 94.6892068 ] [ 5.068569 -7.6385534 -17.32567 ] [ 73.272713 9.9641958 38.9458291 ] [ 54.9294978 51.1884597 -36.3506718 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.044617907659342e-07 -4.16432138284531e-08 -3.015147070282178e-08 ] [ -7.17575709106366e-08 -6.772634245293003e-08 -9.795648066935187e-08 ] [ -3.73039675537307e-08 2.363051230727281e-08 1.517088346269539e-07 ] [ 8.120742819616745e-09 -1.223831177504125e-08 -2.775878364239477e-08 ] [ 1.17395828678388e-07 1.596440168736094e-08 6.239809737577724e-08 ] [ 8.80067578925144e-08 8.201295406179064e-08 -5.824019698816271e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 68.235168 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.093247917866645e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.7052865 -0.3007112 2.034187 ] [ -0.0502872 1.5261186 0.4272194 ] [ 0.5624879 2.101456 2.8126615 ] [ 2.1880758 0.3931618 0.1063071 ] [ 3.1135062 0.5473016 2.9454812 ] [ 1.9540832 3.3506074 0.4794124 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.052865000000001e-11 -3.007112e-11 2.034187e-10 ] [ -5.02872e-12 1.5261186e-10 4.272194e-11 ] [ 5.624879000000001e-11 2.101456e-10 2.8126615e-10 ] [ 2.1880758e-10 3.931618e-11 1.063071e-11 ] [ 3.1135062e-10 5.473016000000001e-11 2.9454812e-10 ] [ 1.9540832e-10 3.3506074e-10 4.794124e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.8e-06 -0.0001139 5.18e-05 ] [ -2.84e-05 4.06e-05 -4.99e-05 ] [ 5.7e-06 7.23e-05 2.97e-05 ] [ 4.54e-05 -3.15e-05 -7.3e-06 ] [ -2.33e-05 -1.09e-05 -3.15e-05 ] [ -9.2e-06 4.33e-05 7.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.57013310132e-14 -1.824879186126e-13 8.299274964119999e-14 ] [ -4.550181640559999e-14 6.504837134039999e-14 -7.994861403659999e-14 ] [ 9.1324068138e-15 1.158373706382e-13 4.75846460298e-14 ] [ 7.273881918359998e-14 -5.046856397099999e-14 -1.16958894282e-14 ] [ -3.733071557219999e-14 -1.74637253106e-14 -5.046856397099999e-14 ] [ -1.47400250328e-14 6.93742482522e-14 1.13754541014e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.652045 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.507734077331653e-18 } }