{ "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" [ [ 2.719922 0.6324479 2.001085 ] [ 1.570016 2.535953 2.950979 ] [ 1.512501 2.471908 5.050939 ] [ 3.556391 2.380181 1.668166 ] [ 3.168972 1.023761 5.396195 ] [ 4.64835 1.331065 3.67677 ] [ 3.603196 3.529371 4.833641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719922e-10 6.324478999999999e-11 2.001085e-10 ] [ 1.570016e-10 2.535953e-10 2.950979e-10 ] [ 1.512501e-10 2.471908e-10 5.050939e-10 ] [ 3.556391e-10 2.380181e-10 1.668166e-10 ] [ 3.168972e-10 1.023761e-10 5.396195e-10 ] [ 4.64835e-10 1.331065e-10 3.67677e-10 ] [ 3.603196e-10 3.529371e-10 4.833641e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.928201 -43.6245233 3.6655554 ] [ -7.6108861 8.0862566 -13.4927879 ] [ -6.8829543 2.5687677 14.9365033 ] [ 18.4159122 36.6211924 -7.8418842 ] [ 0.6953718 -8.5343192 6.8422631 ] [ 4.0939572 1.6006712 -3.3976307 ] [ 4.2168002 3.2819547 -0.7120188 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.071326139120318e-08 -6.989419132480488e-08 5.872867164127192e-09 ] [ -1.219398377299169e-08 1.29556112743097e-08 -2.161782932279313e-08 ] [ -1.102770846149483e-08 4.115619553206188e-09 2.393091638376205e-08 ] [ 2.950554397754549e-08 5.867361828909864e-08 -1.256408352826091e-08 ] [ 1.114108440723614e-09 -1.367348669668456e-08 1.096251397218253e-08 ] [ 6.55924251239583e-09 2.564557974227881e-09 -5.443604473652339e-09 ] [ 6.756058695024764e-09 5.258271090864678e-09 -1.140779874930071e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.2409694 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.32034885054082e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7254583 0.2969495 2.1872065 ] [ 1.1755947 2.3553137 2.5438936 ] [ 1.4768207 2.7475634 4.9874656 ] [ 3.5729659 2.8622943 1.6710977 ] [ 3.1440757 0.8420982 5.583825 ] [ 4.6927779 1.3930682 3.5366674 ] [ 3.9916549 3.4073996 5.0676192 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7254583e-10 2.969495e-11 2.1872065e-10 ] [ 1.1755947e-10 2.3553137e-10 2.5438936e-10 ] [ 1.4768207e-10 2.7475634e-10 4.9874656e-10 ] [ 3.5729659e-10 2.8622943e-10 1.6710977e-10 ] [ 3.1440757e-10 8.420982e-11 5.583825000000001e-10 ] [ 4.6927779e-10 1.3930682e-10 3.5366674e-10 ] [ 3.9916549e-10 3.4073996e-10 5.067619200000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.46e-05 -2.49e-05 -3.3e-06 ] [ 2.96e-05 3.22e-05 1.43e-05 ] [ -3.9e-06 -7e-06 2.34e-05 ] [ 1.75e-05 -2.37e-05 1.4e-06 ] [ 3.3e-06 -4.2e-06 -9.4e-06 ] [ 6.7e-06 1.92e-05 -1.83e-05 ] [ -3.86e-05 8.4e-06 -8.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.339177866368e-14 -3.989419785791999e-14 -5.28718284864e-15 ] [ 4.742442797568e-14 5.159008718975999e-14 2.291112567744e-14 ] [ -6.24848882112e-15 -1.12152363456e-14 3.749093292672001e-14 ] [ 2.8038090864e-14 -3.797158591296e-14 2.24304726912e-15 ] [ 5.28718284864e-15 -6.72914180736e-15 -1.506046023552e-14 ] [ 1.073458335936e-14 3.076179111936e-14 -2.931983216064e-14 ] [ -6.184401756288e-14 1.345828361472e-14 -1.297763062848e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.12874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.70563264965618e-18 } }