{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.137834 0.6178187 0.8180482 ] [ 0.8147489 0.2195668 2.521416 ] [ 0.6602072 2.742467 0.5700192 ] [ 2.747217 2.135327 0.0253318 ] [ 2.249122 2.278269 1.668886 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.137834e-10 6.178187000000001e-11 8.180482000000001e-11 ] [ 8.147489e-11 2.195668e-11 2.521416e-10 ] [ 6.602072e-11 2.742467e-10 5.700191999999999e-11 ] [ 2.747217e-10 2.135327e-10 2.53318e-12 ] [ 2.249122e-10 2.278269e-10 1.668886e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7574608 -8.399808 -16.5571015 ] [ -3.2052398 -3.599066 15.5582264 ] [ -11.6086153 7.4575369 -4.1681466 ] [ 11.8449984 -0.42693 -21.3916226 ] [ 4.7263175 4.968267 26.5586444 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.815762605732465e-09 -1.345797599680881e-08 -2.652740093151262e-08 ] [ -5.135360271617669e-09 -5.766339401916174e-09 2.492702659919335e-08 ] [ -1.859905203352118e-08 1.194829126993331e-08 -6.678107034587009e-09 ] [ 1.897777950989341e-08 -6.840172647181439e-10 -3.427315761069691e-08 ] [ 7.572395400977905e-09 7.960041233292153e-09 4.255163913782085e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -1.1393414 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.825426154189541e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.9367384 0.5573399 0.4821677 ] [ 1.1563731 0.094254 2.8647059 ] [ 0.6459723 3.0335661 0.2334698 ] [ 2.8527512 2.0371824 -0.1636274 ] [ 2.0172941 2.2711061 2.1869852 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.367384e-11 5.573399e-11 4.821677e-11 ] [ 1.1563731e-10 9.4254e-12 2.8647059e-10 ] [ 6.459723e-11 3.0335661e-10 2.334698e-11 ] [ 2.8527512e-10 2.0371824e-10 -1.636274e-11 ] [ 2.0172941e-10 2.2711061e-10 2.1869852e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-07 2.6e-06 2e-06 ] [ -3e-07 -6e-07 -1.5e-06 ] [ 9e-07 -2.3e-06 5e-07 ] [ 3e-07 -4e-07 -1.9e-06 ] [ -1.2e-06 7e-07 1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.8065298624e-16 4.16565921408e-15 3.2043532416e-15 ] [ -4.8065298624e-16 -9.6130597248e-16 -2.4032649312e-15 ] [ 1.44195895872e-15 -3.68500622784e-15 8.010883104e-16 ] [ 4.8065298624e-16 -6.408706483200001e-16 -3.04413557952e-15 ] [ -1.92261194496e-15 1.12152363456e-15 1.6021766208e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.797586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.370834633347739e-18 } }