{ "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" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.003596 -0.1091743 2.5170285 ] [ -2.0087642 -3.3215037 1.0752486 ] [ -2.1733905 0.9405165 -2.1327088 ] [ 2.5469321 1.816418 -1.4145249 ] [ 0.9782622 -7.7367552 3.154328 ] [ -2.6708722 7.6915261 -2.4471534 ] [ 3.3242367 0.7189726 -0.7522181 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.7614271283968e-12 -1.749165110522055e-10 4.032724216587293e-09 ] [ -3.218395037940015e-09 -5.321635574040697e-09 1.722738168467931e-09 ] [ -3.482155446968822e-09 1.506873547776643e-09 -3.416976178334423e-09 ] [ 4.080635065385047e-09 2.910222453200295e-09 -2.266318724319458e-09 ] [ 1.567348825852374e-09 -1.239564830229283e-08 5.053790575934822e-09 ] [ -4.279208995984661e-09 1.2323183295693e-08 -3.92077196499123e-09 ] [ 5.326014322745343e-09 1.15192109071579e-09 -1.205186253562597e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.779145 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.329186031921322e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6519377 1.3700629 1.8377847 ] [ 1.8131881 2.4047219 4.013266 ] [ 0.9302627 3.1815824 1.704962 ] [ 4.7293424 2.6316845 1.5559929 ] [ 4.1374204 1.6601931 3.8391025 ] [ 3.0750375 4.1131355 2.6990756 ] [ 5.3683191 3.8377367 3.7579173 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6519377e-10 1.3700629e-10 1.8377847e-10 ] [ 1.8131881e-10 2.4047219e-10 4.013266e-10 ] [ 9.302627e-11 3.1815824e-10 1.704962e-10 ] [ 4.7293424e-10 2.6316845e-10 1.5559929e-10 ] [ 4.1374204e-10 1.6601931e-10 3.8391025e-10 ] [ 3.0750375e-10 4.1131355e-10 2.6990756e-10 ] [ 5.3683191e-10 3.8377367e-10 3.7579173e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.2e-06 -4.1e-06 1.08e-05 ] [ 2.43e-05 -3.2e-06 5.28e-05 ] [ 8e-06 1.07e-05 -4.61e-05 ] [ -5.45e-05 -7e-06 -1e-05 ] [ 2.89e-05 -7.91e-05 -1.03e-05 ] [ 2.88e-05 3.95e-05 -3.79e-05 ] [ -2.93e-05 4.31e-05 4.07e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.93349504896e-15 -6.568924145279999e-15 1.730350750464e-14 ] [ 3.893289188544e-14 -5.126965186560001e-15 8.459492557824e-14 ] [ 1.28174129664e-14 1.714328984256e-14 -7.386034221888001e-14 ] [ -8.731862583360001e-14 -1.12152363456e-14 -1.6021766208e-14 ] [ 4.630290434112001e-14 -1.2673217070528e-13 -1.650241919424e-14 ] [ 4.614268667904e-14 6.32859765216e-14 -6.072249392832e-14 ] [ -4.694377498944e-14 6.905381235648e-14 6.520858846656e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.75494 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.966178611730676e-18 } }