{ "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" [ [ -3.5701057 3.7360161 -2.1191039 ] [ -1.1887626 -2.625159 -0.4236285 ] [ 2.41867 -2.886292 -4.600719 ] [ -6.9709728 -2.5989348 0.0597029 ] [ 8.5271089 0.0566282 4.0331555 ] [ -0.8411675 0.2941098 2.2361373 ] [ 1.6252298 4.0236317 0.8144556 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.719939886324818e-09 5.985757650352396e-09 -3.395178725626101e-09 ] [ -1.904607645401422e-09 -4.205968375682707e-09 -6.787276786045729e-10 ] [ 3.875136527430336e-09 -4.624349563202073e-09 -7.371164420670356e-09 ] [ -1.116872964439272e-08 -4.163952575543523e-09 9.565459057396034e-11 ] [ 1.36619345225956e-08 9.072837811798656e-11 6.461827450150935e-09 ] [ -1.347698902676784e-09 4.712158455081639e-10 3.582686902958836e-09 ] [ 2.60390518898746e-09 6.44656864044976e-09 1.304901720999636e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.577198 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.534436272837252e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.620038 3.4075048 2.8228927 ] [ 4.9017352 2.6984777 2.0879192 ] [ 3.5577714 1.052143 1.5177475 ] [ 5.7263235 1.5588641 5.1410419 ] [ 3.8556172 2.3954677 4.3379367 ] [ 2.3037644 4.3926739 0.8814997 ] [ 5.5948564 4.5069068 3.1323719 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.620038e-10 3.4075048e-10 2.8228927e-10 ] [ 4.9017352e-10 2.6984777e-10 2.0879192e-10 ] [ 3.5577714e-10 1.052143e-10 1.5177475e-10 ] [ 5.7263235e-10 1.5588641e-10 5.141041900000001e-10 ] [ 3.8556172e-10 2.395467700000001e-10 4.3379367e-10 ] [ 2.3037644e-10 4.3926739e-10 8.814997000000001e-11 ] [ 5.5948564e-10 4.506906800000001e-10 3.1323719e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0606211 -0.0473991 0.0770121 ] [ -0.0150399 0.0064303 0.0034318 ] [ 0.0114953 -0.0192315 -0.0211805 ] [ -0.0910238 0.0185959 0.0083053 ] [ 0.0676735 -0.0143611 0.004038 ] [ -0.0624981 0.0454907 -0.0644378 ] [ 0.0287719 0.0104748 -0.007169 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.712570914717888e-11 -7.594172986696129e-11 1.233869861387117e-10 ] [ -2.409657615916992e-11 1.030247632473024e-11 5.498349727261441e-12 ] [ 1.841750090908224e-11 -3.08122596829152e-11 -3.39349019168544e-11 ] [ -1.458362042963751e-10 2.979391622273472e-11 1.330655748873024e-11 ] [ 1.084248995477088e-10 -2.300901866897088e-11 6.4695891947904e-12 ] [ -1.001329946644205e-10 7.288413600382657e-11 -1.032407366557863e-10 ] [ 4.609766551599552e-11 1.678247966755584e-11 -1.14860041945152e-11 ] ] } "relaxed-potential-energy" { "source-value" -14.039244 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.249334851050668e-18 } }