{ "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" [ [ 2.510917 2.898515 1.87318 ] [ 1.068289 2.930408 3.679489 ] [ 1.738918 4.773151 2.611531 ] [ 3.136153 2.016935 3.60422 ] [ 3.930075 4.659698 3.066974 ] [ 4.662989 3.229538 1.53666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.510917e-10 2.898515000000001e-10 1.87318e-10 ] [ 1.068289e-10 2.930408e-10 3.679489e-10 ] [ 1.738918e-10 4.773151000000001e-10 2.611531e-10 ] [ 3.136153000000001e-10 2.016935e-10 3.604220000000001e-10 ] [ 3.930075e-10 4.659698e-10 3.066974e-10 ] [ 4.662989e-10 3.229538e-10 1.53666e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.0405902 -0.8124114 -9.8569243 ] [ -3.6391228 -0.9541017 2.5805962 ] [ -3.2908866 5.8592975 0.2413994 ] [ 4.9686005 -3.6667536 6.4191168 ] [ 1.2252348 1.2293993 2.2378837 ] [ 3.7767643 -1.6554301 -1.6220718 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.871562531873596e-09 -1.301626551551397e-09 -1.57925336664554e-08 ] [ -5.830517470380234e-09 -1.528639437605535e-09 4.134570899365321e-09 ] [ -5.272581572224001e-09 9.387629468811888e-09 3.867644749551475e-10 ] [ 7.960575559195192e-09 -5.874786892154234e-09 1.028455886314451e-08 ] [ 1.963042551550564e-09 1.969714816087886e-09 3.585484944209401e-09 ] [ 6.051043463732078e-09 -2.652291403588606e-09 -2.598845515218974e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.974188 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.238911730826391e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3689 3.1204242 1.5136655 ] [ 1.0670849 2.7254819 3.5810687 ] [ 1.4772297 4.9910954 2.8665808 ] [ 3.4542707 2.2694336 3.724516 ] [ 3.8864808 4.6569678 2.9717754 ] [ 4.7933749 2.744842 1.7144477 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3689e-10 3.1204242e-10 1.5136655e-10 ] [ 1.0670849e-10 2.7254819e-10 3.5810687e-10 ] [ 1.4772297e-10 4.9910954e-10 2.8665808e-10 ] [ 3.4542707e-10 2.2694336e-10 3.724516e-10 ] [ 3.8864808e-10 4.656967800000001e-10 2.9717754e-10 ] [ 4.7933749e-10 2.744842e-10 1.7144477e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.8e-06 3e-07 -3e-06 ] [ -5e-07 -1.97e-05 1e-07 ] [ 9.1e-06 7.2e-06 1.12e-05 ] [ -1.53e-05 9.4e-06 2.3e-06 ] [ -1.4e-06 1.04e-05 -1.02e-05 ] [ 3.3e-06 -7.6e-06 -4e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.69044777984e-15 4.8065298624e-16 -4.8065298624e-15 ] [ -8.010883104e-16 -3.156287942976e-14 1.6021766208e-16 ] [ 1.457980724928e-14 1.153567166976e-14 1.794437815296e-14 ] [ -2.451330229824e-14 1.506046023552e-14 3.68500622784e-15 ] [ -2.24304726912e-15 1.666263685632e-14 -1.634220153216e-14 ] [ 5.28718284864e-15 -1.217654231808e-14 -6.408706483200001e-16 ] ] } "relaxed-potential-energy" { "source-value" -18.001462 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.884152155661961e-18 } }