{ "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" [ [ -4.1732036 4.0190551 2.0280347 ] [ 2.2287335 -2.8074957 -1.928492 ] [ 0.3795793 -3.3247945 -2.769708 ] [ 0.6499207 -0.0676004 0.4192442 ] [ -2.4478732 -5.7435331 3.5490967 ] [ -1.3424421 0.2495132 -2.1229132 ] [ 4.7052853 7.6748555 0.8247375 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.686209241758394e-09 6.439236118927006e-09 3.249269782511142e-09 ] [ 3.570824707693757e-09 -4.498103973536531e-09 -3.089784795799834e-09 ] [ 6.081530801996294e-10 -5.326908016864425e-09 -4.437561404042727e-09 ] [ 1.041287750913971e-09 -1.083077804367283e-10 6.717032556459993e-10 ] [ -3.921925211722883e-09 -9.202154453610948e-09 5.686279757698432e-09 ] [ -2.150829347397656e-09 3.997642156209946e-10 -3.401281897027715e-09 ] [ 7.538698101853914e-09 1.229647405011829e-08 1.32137514079704e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.396657 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.107687036707667e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.891544 3.9170657 3.2180275 ] [ 5.7609243 2.378562 2.0395002 ] [ 3.4897633 1.7659661 1.7838942 ] [ 5.5530425 2.2066613 4.4386009 ] [ 3.2669234 1.7382797 4.1875523 ] [ 2.379866 3.6748243 0.9128508 ] [ 5.2180425 4.3306789 3.3409837 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.891544e-10 3.917065700000001e-10 3.2180275e-10 ] [ 5.7609243e-10 2.378562e-10 2.0395002e-10 ] [ 3.4897633e-10 1.7659661e-10 1.7838942e-10 ] [ 5.5530425e-10 2.2066613e-10 4.4386009e-10 ] [ 3.2669234e-10 1.7382797e-10 4.1875523e-10 ] [ 2.379866e-10 3.6748243e-10 9.128508e-11 ] [ 5.2180425e-10 4.3306789e-10 3.3409837e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.47e-05 1.19e-05 -8e-06 ] [ -2.4e-06 -1.21e-05 2.29e-05 ] [ 4e-07 -1.8e-06 -1.72e-05 ] [ 1.14e-05 1e-05 -9.7e-06 ] [ -1.3e-06 -1.12e-05 4.2e-06 ] [ -1.13e-05 3.5e-06 3.4e-06 ] [ -1.15e-05 -3e-07 4.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.355199632576e-14 1.906590178752e-14 -1.28174129664e-14 ] [ -3.84522388992e-15 -1.938633711168e-14 3.668984461632e-14 ] [ 6.408706483200001e-16 -2.88391791744e-15 -2.755743787776e-14 ] [ 1.826481347712e-14 1.6021766208e-14 -1.554111322176e-14 ] [ -2.08282960704e-15 -1.794437815296e-14 6.72914180736e-15 ] [ -1.810459581504e-14 5.6076181728e-15 5.44740051072e-15 ] [ -1.84250311392e-14 -4.8065298624e-16 6.889359469440001e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.746053 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.484101771127771e-18 } }