{ "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" [ [ 2.70835 3.598 3.116557 ] [ 5.398567 2.472121 1.998263 ] [ 3.170959 1.761622 1.993892 ] [ 5.798068 2.225895 4.322659 ] [ 3.522139 1.857386 4.354431 ] [ 3.141461 3.938126 0.8725825 ] [ 4.820562 4.158888 3.263025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70835e-10 3.598e-10 3.116557e-10 ] [ 5.398567e-10 2.472121e-10 1.998263e-10 ] [ 3.170959e-10 1.761622e-10 1.993892e-10 ] [ 5.798068e-10 2.225895e-10 4.322659e-10 ] [ 3.522139e-10 1.857386e-10 4.354431e-10 ] [ 3.141461e-10 3.938126e-10 8.725825e-11 ] [ 4.820562e-10 4.158888e-10 3.263025e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.8608815 2.7786166 1.2935163 ] [ 2.5589891 -1.5840553 -1.8315629 ] [ -0.6603826 -3.1149005 -2.2708212 ] [ 0.3272116 0.3216523 -0.2184441 ] [ -0.5920084 -1.0239785 1.0311284 ] [ -0.0902449 -0.4438886 0.1029456 ] [ 3.3173167 3.0665538 1.8932379 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.787990695779235e-09 4.451834554686786e-09 2.072441574483719e-09 ] [ 4.099952508902033e-09 -2.53793636771433e-09 -2.934487257904649e-09 ] [ -1.058049562503118e-09 -4.99062075721823e-09 -3.638256636657001e-09 ] [ 5.242507755745613e-10 5.153437950865479e-10 -3.499860299716973e-10 ] [ -9.485020177972146e-10 -1.640594412901853e-09 1.652049815522911e-09 ] [ -1.445882689264339e-10 -7.11187937159643e-10 1.649370335342285e-10 ] [ 5.314927260529407e-09 4.913160804785399e-09 3.033301500992488e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.328771158928927 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.013980918922925e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2861083 3.6716443 3.1522339 ] [ 5.3574748 2.2735842 1.7976582 ] [ 3.0203855 1.6341325 1.9596959 ] [ 5.9506128 2.3418101 4.1212078 ] [ 3.58169 2.0041902 4.2931642 ] [ 3.687798 3.884264 1.1823986 ] [ 4.6760365 4.2024128 3.415051 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2861083e-10 3.6716443e-10 3.1522339e-10 ] [ 5.357474800000001e-10 2.2735842e-10 1.7976582e-10 ] [ 3.0203855e-10 1.6341325e-10 1.9596959e-10 ] [ 5.9506128e-10 2.3418101e-10 4.1212078e-10 ] [ 3.58169e-10 2.0041902e-10 4.2931642e-10 ] [ 3.687798e-10 3.884264e-10 1.1823986e-10 ] [ 4.6760365e-10 4.202412800000001e-10 3.415051e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.88e-05 -2.71e-05 -2.07e-05 ] [ -1e-05 -1.51e-05 -1.8e-05 ] [ 7.9e-06 3.8e-06 -5.7e-06 ] [ -2e-07 -1.43e-05 -3.9e-06 ] [ -1.08e-05 1.92e-05 4.5e-06 ] [ -6e-06 -6.4e-06 3.35e-05 ] [ 4e-07 3.99e-05 1.03e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.012092047104e-14 -4.341898642368e-14 -3.316505605055999e-14 ] [ -1.6021766208e-14 -2.419286697408e-14 -2.88391791744e-14 ] [ 1.265719530432e-14 6.08827115904e-15 -9.13240673856e-15 ] [ -3.2043532416e-16 -2.291112567744e-14 -6.24848882112e-15 ] [ -1.730350750464e-14 3.076179111936e-14 7.2097947936e-15 ] [ -9.6130597248e-15 -1.025393037312e-14 5.36729167968e-14 ] [ 6.408706483200001e-16 6.392684716992e-14 1.650241919424e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.103202158928926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.298276105265201e-18 } }