{ "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" [ [ 2.272226 1.517825 2.823083 ] [ 2.079314 3.025232 4.309487 ] [ 1.624731 3.89644 2.167347 ] [ 4.204366 1.580563 1.938725 ] [ 4.130904 2.338344 4.256427 ] [ 3.588528 3.628489 1.149971 ] [ 3.881136 4.134812 3.114475 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.272226e-10 1.517825e-10 2.823083e-10 ] [ 2.079314e-10 3.025232e-10 4.309487e-10 ] [ 1.624731e-10 3.89644e-10 2.167347e-10 ] [ 4.204366000000001e-10 1.580563e-10 1.938725e-10 ] [ 4.130904e-10 2.338344e-10 4.256427000000001e-10 ] [ 3.588528e-10 3.628489e-10 1.149971e-10 ] [ 3.881136e-10 4.134812e-10 3.114475e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.7079316 -9.9607139 -5.0851586 ] [ -10.1326337 0.8824322 10.3782227 ] [ -13.7000841 4.0806808 -4.3758644 ] [ 4.0285214 6.0951992 -0.5297133 ] [ 11.9263641 -1.2526274 12.1382074 ] [ 3.7814676 2.0543866 -10.0268265 ] [ 13.8042963 -1.8993576 -2.4988673 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.555382117399023e-08 -1.595882306853901e-08 -8.14732228910415e-09 ] [ -1.623426895502096e-08 1.413812251929215e-09 1.662774591238839e-08 ] [ -2.194995462885492e-08 6.537971428572427e-09 -7.010907695232429e-09 ] [ 6.454402856648967e-09 9.765585737815491e-09 -8.486942719790323e-10 ] [ 1.910814188959644e-08 -2.006930351388171e-09 1.944755227492589e-08 ] [ 6.058579030948057e-09 3.291490207722704e-09 -1.6064747131472e-08 ] [ 2.211692098067265e-08 -3.043106366330318e-09 -4.003626799526668e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.081401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.736742155818423e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1908034 1.4777697 2.8265062 ] [ 1.9890969 3.2952251 4.5890998 ] [ 1.5862221 3.8041211 2.1570088 ] [ 4.505273 1.8793347 1.9852585 ] [ 4.0802856 1.9163057 4.4660467 ] [ 3.5233702 3.6975588 0.597633 ] [ 3.9061538 4.05139 3.137962 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1908034e-10 1.4777697e-10 2.8265062e-10 ] [ 1.9890969e-10 3.2952251e-10 4.5890998e-10 ] [ 1.5862221e-10 3.8041211e-10 2.1570088e-10 ] [ 4.505273e-10 1.8793347e-10 1.9852585e-10 ] [ 4.0802856e-10 1.9163057e-10 4.4660467e-10 ] [ 3.5233702e-10 3.6975588e-10 5.97633e-11 ] [ 3.9061538e-10 4.05139e-10 3.137962e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.56e-05 -1.77e-05 -7.38e-05 ] [ -3.88e-05 -1.9e-06 -3.35e-05 ] [ -0.000101 8.49e-05 6.87e-05 ] [ -6.9e-06 -3.2e-05 -9.29e-05 ] [ 1.21e-05 -5.4e-06 0.0001311 ] [ 8e-06 -7.59e-05 -6.28e-05 ] [ 5.1e-05 4.81e-05 6.32e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.211245535304e-13 -2.83585264218e-14 -1.182406355892e-13 ] [ -6.21644533992e-14 -3.0441356046e-15 -5.367291723899999e-14 ] [ -1.61819840034e-13 1.360247962266e-13 1.100695347558e-13 ] [ -1.10550187746e-14 -5.126965228799999e-14 -1.488422092986e-13 ] [ 1.93863372714e-14 -8.6517538236e-15 2.100453567174e-13 ] [ 1.2817413072e-14 -1.216052065206e-13 -1.006166926152e-13 ] [ 8.171100833399999e-14 7.706469609539999e-14 1.012575632688e-13 ] ] } "relaxed-potential-energy" { "source-value" -27.211343 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.359737793435946e-18 } }