{ "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" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.8973113 -3.9832198 -7.3384097 ] [ -5.5680202 -3.4697263 5.3123285 ] [ -6.0828217 10.5889373 -3.3397811 ] [ 5.2759601 -1.4279915 -1.9360997 ] [ 5.5118683 -6.9999789 2.7619512 ] [ 2.3008642 2.2799707 -1.3326012 ] [ 4.4594606 3.0120086 5.872612 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.448534290439654e-09 -6.381821639067652e-09 -1.175742845519194e-08 ] [ -8.92095178858214e-09 -5.559114358434888e-09 8.511288524709533e-09 ] [ -9.745754716234913e-09 1.696534778117708e-08 -5.350919197009707e-09 ] [ 8.45301992449363e-09 -2.287894596001123e-09 -3.101973674877894e-09 ] [ 8.830986527188641e-09 -1.12152025396733e-08 4.425133640430504e-09 ] [ 3.686390828875695e-09 3.65291575164901e-09 -2.135062487490025e-09 ] [ 7.144843514698741e-09 4.825769760568539e-09 9.40896164942953e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.8059287 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.571082970837174e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4710265 2.2203374 1.7527097 ] [ 1.691211 2.6978544 4.7103007 ] [ 2.4270241 4.441439 2.9211978 ] [ 4.9829238 2.4074113 1.6201135 ] [ 3.8966151 1.6516041 3.810344 ] [ 4.4647347 4.7346218 1.6610988 ] [ 3.8998338 3.934696 5.0073835 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4710265e-10 2.2203374e-10 1.7527097e-10 ] [ 1.691211e-10 2.6978544e-10 4.710300700000001e-10 ] [ 2.4270241e-10 4.441439e-10 2.9211978e-10 ] [ 4.9829238e-10 2.4074113e-10 1.6201135e-10 ] [ 3.8966151e-10 1.6516041e-10 3.810344e-10 ] [ 4.4647347e-10 4.7346218e-10 1.6610988e-10 ] [ 3.8998338e-10 3.934696e-10 5.007383500000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.6e-06 5e-06 -6e-07 ] [ 1.33e-05 1.12e-05 -4.5e-06 ] [ 1.3e-06 -1.2e-05 8.6e-06 ] [ 1.2e-06 5e-07 1.3e-06 ] [ -1.4e-06 -3.5e-06 3.7e-06 ] [ -2e-07 3.3e-06 -4.6e-06 ] [ -1.25e-05 -4.5e-06 -3.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.56348259328e-15 8.010883104e-15 -9.6130597248e-16 ] [ 2.130894905664e-14 1.794437815296e-14 -7.2097947936e-15 ] [ 2.08282960704e-15 -1.92261194496e-14 1.377871893888e-14 ] [ 1.92261194496e-15 8.010883104e-16 2.08282960704e-15 ] [ -2.24304726912e-15 -5.6076181728e-15 5.928053496960001e-15 ] [ -3.2043532416e-16 5.28718284864e-15 -7.370012455680001e-15 ] [ -2.002720776e-14 -7.2097947936e-15 -6.24848882112e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.40999 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.629170232556179e-18 } }